----------------------------- ------- calculate fc2 ------- ----------------------------- _ _ __ | |__ ___ _ __ ___ _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ | '_ \| | | | | |_) | | | | (_) | | | | (_) || |_) | |_| | | .__/|_| |_|\___/|_| |_|\___(_) .__/ \__, | |_| |_| |___/ 2.47.1 -------------------------[time 2026-01-07 21:37:19]------------------------- Compiled with OpenMP support (max 128 threads). Running in phonopy.load mode. Python version 3.14.2 Spglib version 2.6.1 Crystal structure was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". Unit of length: angstrom Settings: Supercell: [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pna2_1 (33) Number of symmetry operations in supercell: 16 ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.983049080000001 0.000000000000000 0.000000000000000 b 0.000000000000000 5.297293359999999 0.000000000000000 c 0.000000000000000 0.000000000000000 7.043456550000000 Atomic positions (fractional): *1 O 0.88905493145713 0.88855634002071 0.10324126750115 15.999 2 O 0.11094506854287 0.11144365997929 0.60324126750115 15.999 3 O 0.38905493145713 0.61144365997929 0.10324126750115 15.999 4 O 0.61094506854287 0.38855634002071 0.60324126750115 15.999 *5 O 0.05220821801337 0.25508628145697 0.16050068878854 15.999 6 O 0.94779178198663 0.74491371854303 0.66050068878854 15.999 7 O 0.55220821801337 0.24491371854303 0.16050068878854 15.999 8 O 0.44779178198663 0.75508628145697 0.66050068878854 15.999 *9 O 0.85491484725827 0.33901994096941 0.94109944265807 15.999 10 O 0.14508515274173 0.66098005903059 0.44109944265807 15.999 11 O 0.35491484725827 0.16098005903059 0.94109944265807 15.999 *12 O 0.67106640131803 0.77915139025437 0.82396424385071 15.999 13 O 0.82893359868197 0.27915139025437 0.32396424385071 15.999 14 O 0.17106640131803 0.72084860974563 0.82396424385071 15.999 15 O 0.32893359868197 0.22084860974563 0.32396424385071 15.999 16 O 0.64508515274173 0.83901994096941 0.44109944265807 15.999 *17 Na 0.08787946896001 0.76200446809661 0.13023366104254 22.990 *18 Na 0.34236972741196 0.79107596009330 0.38423993992588 22.990 19 Na 0.15763027258804 0.29107596009330 0.88423993992588 22.990 20 Na 0.84236972741196 0.70892403990670 0.38423993992588 22.990 21 Na 0.91212053103999 0.23799553190339 0.63023366104254 22.990 22 Na 0.58787946896001 0.73799553190339 0.13023366104254 22.990 23 Na 0.41212053103999 0.26200446809661 0.63023366104254 22.990 24 Na 0.65763027258804 0.20892403990670 0.88423993992588 22.990 *25 Mg 0.84225425485780 0.69871259131342 0.88027852915141 24.305 26 Mg 0.34225425485780 0.80128740868658 0.88027852915141 24.305 27 Mg 0.15774574514220 0.30128740868658 0.38027852915141 24.305 28 Mg 0.65774574514220 0.19871259131342 0.38027852915141 24.305 *29 Si 0.90586345565489 0.19531048344843 0.13244221708170 28.085 30 Si 0.09413654434511 0.80468951655157 0.63244221708170 28.085 31 Si 0.40586345565489 0.30468951655157 0.13244221708170 28.085 32 Si 0.59413654434511 0.69531048344843 0.63244221708170 28.085 -------------------------------- unit cell --------------------------------- Lattice vectors: a 10.983049080000001 0.000000000000000 0.000000000000000 b 0.000000000000000 5.297293359999999 0.000000000000000 c 0.000000000000000 0.000000000000000 7.043456550000000 Atomic positions (fractional): *1 O 0.88905493145713 0.88855634002071 0.10324126750115 15.999 > 1 2 O 0.11094506854287 0.11144365997929 0.60324126750115 15.999 > 2 3 O 0.38905493145713 0.61144365997929 0.10324126750115 15.999 > 3 4 O 0.61094506854287 0.38855634002071 0.60324126750115 15.999 > 4 *5 O 0.05220821801337 0.25508628145697 0.16050068878854 15.999 > 5 6 O 0.94779178198663 0.74491371854303 0.66050068878854 15.999 > 6 7 O 0.55220821801337 0.24491371854303 0.16050068878854 15.999 > 7 8 O 0.44779178198663 0.75508628145697 0.66050068878854 15.999 > 8 *9 O 0.85491484725827 0.33901994096941 0.94109944265807 15.999 > 9 10 O 0.14508515274173 0.66098005903059 0.44109944265807 15.999 > 10 11 O 0.35491484725827 0.16098005903059 0.94109944265807 15.999 > 11 *12 O 0.67106640131803 0.77915139025437 0.82396424385071 15.999 > 12 13 O 0.82893359868197 0.27915139025437 0.32396424385071 15.999 > 13 14 O 0.17106640131803 0.72084860974563 0.82396424385071 15.999 > 14 15 O 0.32893359868197 0.22084860974563 0.32396424385071 15.999 > 15 16 O 0.64508515274173 0.83901994096941 0.44109944265807 15.999 > 16 *17 Na 0.08787946896001 0.76200446809661 0.13023366104254 22.990 > 17 *18 Na 0.34236972741196 0.79107596009330 0.38423993992588 22.990 > 18 19 Na 0.15763027258804 0.29107596009330 0.88423993992588 22.990 > 19 20 Na 0.84236972741196 0.70892403990670 0.38423993992588 22.990 > 20 21 Na 0.91212053103999 0.23799553190339 0.63023366104254 22.990 > 21 22 Na 0.58787946896001 0.73799553190339 0.13023366104254 22.990 > 22 23 Na 0.41212053103999 0.26200446809661 0.63023366104254 22.990 > 23 24 Na 0.65763027258804 0.20892403990670 0.88423993992588 22.990 > 24 *25 Mg 0.84225425485780 0.69871259131342 0.88027852915141 24.305 > 25 26 Mg 0.34225425485780 0.80128740868658 0.88027852915141 24.305 > 26 27 Mg 0.15774574514220 0.30128740868658 0.38027852915141 24.305 > 27 28 Mg 0.65774574514220 0.19871259131342 0.38027852915141 24.305 > 28 *29 Si 0.90586345565489 0.19531048344843 0.13244221708170 28.085 > 29 30 Si 0.09413654434511 0.80468951655157 0.63244221708170 28.085 > 30 31 Si 0.40586345565489 0.30468951655157 0.13244221708170 28.085 > 31 32 Si 0.59413654434511 0.69531048344843 0.63244221708170 28.085 > 32 -------------------------------- super cell -------------------------------- Lattice vectors: a 10.983049080000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.594586719999999 0.000000000000000 c 0.000000000000000 0.000000000000000 14.086913100000000 Atomic positions (fractional): *1 O 0.88905493145713 0.44427817001036 0.05162063375058 15.999 > 1 2 O 0.88905493145713 0.94427817001036 0.05162063375058 15.999 > 1 3 O 0.88905493145713 0.44427817001036 0.55162063375058 15.999 > 1 4 O 0.88905493145713 0.94427817001036 0.55162063375058 15.999 > 1 5 O 0.11094506854287 0.05572182998964 0.30162063375058 15.999 > 2 6 O 0.11094506854287 0.55572182998964 0.30162063375058 15.999 > 2 7 O 0.11094506854287 0.05572182998964 0.80162063375058 15.999 > 2 8 O 0.11094506854287 0.55572182998964 0.80162063375058 15.999 > 2 9 O 0.38905493145713 0.30572182998964 0.05162063375058 15.999 > 3 10 O 0.38905493145713 0.80572182998964 0.05162063375058 15.999 > 3 11 O 0.38905493145713 0.30572182998964 0.55162063375058 15.999 > 3 12 O 0.38905493145713 0.80572182998964 0.55162063375058 15.999 > 3 13 O 0.61094506854287 0.19427817001036 0.30162063375058 15.999 > 4 14 O 0.61094506854287 0.69427817001036 0.30162063375058 15.999 > 4 15 O 0.61094506854287 0.19427817001036 0.80162063375058 15.999 > 4 16 O 0.61094506854287 0.69427817001036 0.80162063375058 15.999 > 4 *17 O 0.05220821801337 0.12754314072849 0.08025034439427 15.999 > 5 18 O 0.05220821801337 0.62754314072849 0.08025034439427 15.999 > 5 19 O 0.05220821801337 0.12754314072849 0.58025034439427 15.999 > 5 20 O 0.05220821801337 0.62754314072849 0.58025034439427 15.999 > 5 21 O 0.94779178198663 0.37245685927151 0.33025034439427 15.999 > 6 22 O 0.94779178198663 0.87245685927151 0.33025034439427 15.999 > 6 23 O 0.94779178198663 0.37245685927151 0.83025034439427 15.999 > 6 24 O 0.94779178198663 0.87245685927151 0.83025034439427 15.999 > 6 25 O 0.55220821801337 0.12245685927151 0.08025034439427 15.999 > 7 26 O 0.55220821801337 0.62245685927151 0.08025034439427 15.999 > 7 27 O 0.55220821801337 0.12245685927151 0.58025034439427 15.999 > 7 28 O 0.55220821801337 0.62245685927151 0.58025034439427 15.999 > 7 29 O 0.44779178198663 0.37754314072849 0.33025034439427 15.999 > 8 30 O 0.44779178198663 0.87754314072849 0.33025034439427 15.999 > 8 31 O 0.44779178198663 0.37754314072849 0.83025034439427 15.999 > 8 32 O 0.44779178198663 0.87754314072849 0.83025034439427 15.999 > 8 *33 O 0.85491484725827 0.16950997048470 0.47054972132903 15.999 > 9 34 O 0.85491484725827 0.66950997048470 0.47054972132903 15.999 > 9 35 O 0.85491484725827 0.16950997048470 0.97054972132903 15.999 > 9 36 O 0.85491484725827 0.66950997048470 0.97054972132903 15.999 > 9 37 O 0.14508515274173 0.33049002951530 0.22054972132903 15.999 > 10 38 O 0.14508515274173 0.83049002951530 0.22054972132903 15.999 > 10 39 O 0.14508515274173 0.33049002951530 0.72054972132903 15.999 > 10 40 O 0.14508515274173 0.83049002951530 0.72054972132903 15.999 > 10 41 O 0.35491484725827 0.08049002951530 0.47054972132903 15.999 > 11 42 O 0.35491484725827 0.58049002951530 0.47054972132903 15.999 > 11 43 O 0.35491484725827 0.08049002951530 0.97054972132903 15.999 > 11 44 O 0.35491484725827 0.58049002951530 0.97054972132903 15.999 > 11 *45 O 0.67106640131803 0.38957569512718 0.41198212192535 15.999 > 12 46 O 0.67106640131803 0.88957569512718 0.41198212192535 15.999 > 12 47 O 0.67106640131803 0.38957569512718 0.91198212192535 15.999 > 12 48 O 0.67106640131803 0.88957569512718 0.91198212192535 15.999 > 12 49 O 0.82893359868197 0.13957569512718 0.16198212192535 15.999 > 13 50 O 0.82893359868197 0.63957569512718 0.16198212192535 15.999 > 13 51 O 0.82893359868197 0.13957569512718 0.66198212192535 15.999 > 13 52 O 0.82893359868197 0.63957569512718 0.66198212192535 15.999 > 13 53 O 0.17106640131803 0.36042430487282 0.41198212192535 15.999 > 14 54 O 0.17106640131803 0.86042430487282 0.41198212192535 15.999 > 14 55 O 0.17106640131803 0.36042430487282 0.91198212192535 15.999 > 14 56 O 0.17106640131803 0.86042430487282 0.91198212192535 15.999 > 14 57 O 0.32893359868197 0.11042430487282 0.16198212192535 15.999 > 15 58 O 0.32893359868197 0.61042430487282 0.16198212192535 15.999 > 15 59 O 0.32893359868197 0.11042430487282 0.66198212192535 15.999 > 15 60 O 0.32893359868197 0.61042430487282 0.66198212192535 15.999 > 15 61 O 0.64508515274173 0.41950997048470 0.22054972132903 15.999 > 16 62 O 0.64508515274173 0.91950997048470 0.22054972132903 15.999 > 16 63 O 0.64508515274173 0.41950997048470 0.72054972132903 15.999 > 16 64 O 0.64508515274173 0.91950997048470 0.72054972132903 15.999 > 16 *65 Na 0.08787946896001 0.38100223404830 0.06511683052127 22.990 > 17 66 Na 0.08787946896001 0.88100223404830 0.06511683052127 22.990 > 17 67 Na 0.08787946896001 0.38100223404830 0.56511683052127 22.990 > 17 68 Na 0.08787946896001 0.88100223404830 0.56511683052127 22.990 > 17 *69 Na 0.34236972741196 0.39553798004665 0.19211996996294 22.990 > 18 70 Na 0.34236972741196 0.89553798004665 0.19211996996294 22.990 > 18 71 Na 0.34236972741196 0.39553798004665 0.69211996996294 22.990 > 18 72 Na 0.34236972741196 0.89553798004665 0.69211996996294 22.990 > 18 73 Na 0.15763027258804 0.14553798004665 0.44211996996294 22.990 > 19 74 Na 0.15763027258804 0.64553798004665 0.44211996996294 22.990 > 19 75 Na 0.15763027258804 0.14553798004665 0.94211996996294 22.990 > 19 76 Na 0.15763027258804 0.64553798004665 0.94211996996294 22.990 > 19 77 Na 0.84236972741196 0.35446201995335 0.19211996996294 22.990 > 20 78 Na 0.84236972741196 0.85446201995335 0.19211996996294 22.990 > 20 79 Na 0.84236972741196 0.35446201995335 0.69211996996294 22.990 > 20 80 Na 0.84236972741196 0.85446201995335 0.69211996996294 22.990 > 20 81 Na 0.91212053103999 0.11899776595170 0.31511683052127 22.990 > 21 82 Na 0.91212053103999 0.61899776595170 0.31511683052127 22.990 > 21 83 Na 0.91212053103999 0.11899776595170 0.81511683052127 22.990 > 21 84 Na 0.91212053103999 0.61899776595170 0.81511683052127 22.990 > 21 85 Na 0.58787946896001 0.36899776595170 0.06511683052127 22.990 > 22 86 Na 0.58787946896001 0.86899776595170 0.06511683052127 22.990 > 22 87 Na 0.58787946896001 0.36899776595170 0.56511683052127 22.990 > 22 88 Na 0.58787946896001 0.86899776595170 0.56511683052127 22.990 > 22 89 Na 0.41212053103999 0.13100223404830 0.31511683052127 22.990 > 23 90 Na 0.41212053103999 0.63100223404830 0.31511683052127 22.990 > 23 91 Na 0.41212053103999 0.13100223404830 0.81511683052127 22.990 > 23 92 Na 0.41212053103999 0.63100223404830 0.81511683052127 22.990 > 23 93 Na 0.65763027258804 0.10446201995335 0.44211996996294 22.990 > 24 94 Na 0.65763027258804 0.60446201995335 0.44211996996294 22.990 > 24 95 Na 0.65763027258804 0.10446201995335 0.94211996996294 22.990 > 24 96 Na 0.65763027258804 0.60446201995335 0.94211996996294 22.990 > 24 *97 Mg 0.84225425485780 0.34935629565671 0.44013926457570 24.305 > 25 98 Mg 0.84225425485780 0.84935629565671 0.44013926457570 24.305 > 25 99 Mg 0.84225425485780 0.34935629565671 0.94013926457570 24.305 > 25 100 Mg 0.84225425485780 0.84935629565671 0.94013926457570 24.305 > 25 101 Mg 0.34225425485780 0.40064370434329 0.44013926457570 24.305 > 26 102 Mg 0.34225425485780 0.90064370434329 0.44013926457570 24.305 > 26 103 Mg 0.34225425485780 0.40064370434329 0.94013926457570 24.305 > 26 104 Mg 0.34225425485780 0.90064370434329 0.94013926457570 24.305 > 26 105 Mg 0.15774574514220 0.15064370434329 0.19013926457570 24.305 > 27 106 Mg 0.15774574514220 0.65064370434329 0.19013926457570 24.305 > 27 107 Mg 0.15774574514220 0.15064370434329 0.69013926457570 24.305 > 27 108 Mg 0.15774574514220 0.65064370434329 0.69013926457570 24.305 > 27 109 Mg 0.65774574514220 0.09935629565671 0.19013926457570 24.305 > 28 110 Mg 0.65774574514220 0.59935629565671 0.19013926457570 24.305 > 28 111 Mg 0.65774574514220 0.09935629565671 0.69013926457570 24.305 > 28 112 Mg 0.65774574514220 0.59935629565671 0.69013926457570 24.305 > 28 *113 Si 0.90586345565489 0.09765524172421 0.06622110854085 28.085 > 29 114 Si 0.90586345565489 0.59765524172421 0.06622110854085 28.085 > 29 115 Si 0.90586345565489 0.09765524172421 0.56622110854085 28.085 > 29 116 Si 0.90586345565489 0.59765524172421 0.56622110854085 28.085 > 29 117 Si 0.09413654434511 0.40234475827579 0.31622110854085 28.085 > 30 118 Si 0.09413654434511 0.90234475827579 0.31622110854085 28.085 > 30 119 Si 0.09413654434511 0.40234475827579 0.81622110854085 28.085 > 30 120 Si 0.09413654434511 0.90234475827579 0.81622110854085 28.085 > 30 121 Si 0.40586345565489 0.15234475827579 0.06622110854085 28.085 > 31 122 Si 0.40586345565489 0.65234475827579 0.06622110854085 28.085 > 31 123 Si 0.40586345565489 0.15234475827579 0.56622110854085 28.085 > 31 124 Si 0.40586345565489 0.65234475827579 0.56622110854085 28.085 > 31 125 Si 0.59413654434511 0.34765524172421 0.31622110854085 28.085 > 32 126 Si 0.59413654434511 0.84765524172421 0.31622110854085 28.085 > 32 127 Si 0.59413654434511 0.34765524172421 0.81622110854085 28.085 > 32 128 Si 0.59413654434511 0.84765524172421 0.81622110854085 28.085 > 32 ---------------------------------------------------------------------------- NAC parameters were read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5632889 0.0000000 0.0000000 0.0000000 2.5600230 0.0000000 0.0000000 0.0000000 2.5247329 -------------------------- Born effective charges -------------------------- 1 O -1.2936010 -0.1181171 -0.0256887 -0.1214162 -2.2178235 -0.2515774 -0.0739867 -0.2620092 -1.4424601 2 O -1.2936010 -0.1181171 0.0256887 -0.1214162 -2.2178235 0.2515774 0.0739867 0.2620092 -1.4424601 3 O -1.2936010 0.1181171 -0.0256887 0.1214162 -2.2178235 0.2515774 -0.0739867 0.2620092 -1.4424601 4 O -1.2936010 0.1181171 0.0256887 0.1214162 -2.2178235 -0.2515774 0.0739867 -0.2620092 -1.4424601 5 O -2.2158388 -0.1715120 -0.2583987 -0.1972729 -1.3521191 -0.0336957 -0.2674690 -0.0633224 -1.4424628 6 O -2.2158388 -0.1715120 0.2583987 -0.1972729 -1.3521191 0.0336957 0.2674690 0.0633224 -1.4424628 7 O -2.2158388 0.1715120 -0.2583987 0.1972729 -1.3521191 0.0336957 -0.2674690 0.0633224 -1.4424628 8 O -2.2158388 0.1715120 0.2583987 0.1972729 -1.3521191 -0.0336957 0.2674690 -0.0633224 -1.4424628 9 O -1.3754230 0.1433064 -0.2013552 0.1594838 -1.7651830 0.4249432 -0.2626023 0.4099366 -1.8534350 10 O -1.3754230 0.1433064 0.2013552 0.1594838 -1.7651830 -0.4249432 0.2626023 -0.4099366 -1.8534350 11 O -1.3754230 -0.1433064 -0.2013552 -0.1594838 -1.7651830 -0.4249432 -0.2626023 -0.4099366 -1.8534350 12 O -1.7866609 -0.0676078 -0.4396717 -0.0937113 -1.3590877 -0.1738961 -0.4377405 -0.1704124 -1.8488212 13 O -1.7866609 0.0676078 0.4396717 0.0937113 -1.3590877 -0.1738961 0.4377405 -0.1704124 -1.8488212 14 O -1.7866609 0.0676078 -0.4396717 0.0937113 -1.3590877 0.1738961 -0.4377405 0.1704124 -1.8488212 15 O -1.7866609 -0.0676078 0.4396717 -0.0937113 -1.3590877 0.1738961 0.4377405 0.1704124 -1.8488212 16 O -1.3754230 -0.1433064 0.2013552 -0.1594838 -1.7651830 0.4249432 0.2626023 0.4099366 -1.8534350 17 Na 1.0250417 -0.0130751 -0.0000777 -0.0401492 1.1062512 -0.0048859 0.0009611 -0.0115355 1.0888517 18 Na 1.0358609 0.0054672 -0.0078468 -0.0064714 1.0402129 0.0091995 -0.0286987 -0.0026866 0.9945847 19 Na 1.0358609 -0.0054672 0.0078468 0.0064714 1.0402129 0.0091995 0.0286987 -0.0026866 0.9945847 20 Na 1.0358609 -0.0054672 -0.0078468 0.0064714 1.0402129 -0.0091995 -0.0286987 0.0026866 0.9945847 21 Na 1.0250417 -0.0130751 0.0000777 -0.0401492 1.1062512 0.0048859 -0.0009611 0.0115355 1.0888517 22 Na 1.0250417 0.0130751 -0.0000777 0.0401492 1.1062512 0.0048859 0.0009611 0.0115355 1.0888517 23 Na 1.0250417 0.0130751 0.0000777 0.0401492 1.1062512 -0.0048859 -0.0009611 -0.0115355 1.0888517 24 Na 1.0358609 0.0054672 0.0078468 -0.0064714 1.0402129 -0.0091995 0.0286987 0.0026866 0.9945847 25 Mg 1.9125510 -0.0248274 -0.0404883 0.0641380 1.8796040 0.0663187 0.1187219 -0.0754655 1.7902329 26 Mg 1.9125510 0.0248274 -0.0404883 -0.0641380 1.8796040 -0.0663187 0.1187219 0.0754655 1.7902329 27 Mg 1.9125510 -0.0248274 0.0404883 0.0641380 1.8796040 -0.0663187 -0.1187219 0.0754655 1.7902329 28 Mg 1.9125510 0.0248274 0.0404883 -0.0641380 1.8796040 0.0663187 -0.1187219 -0.0754655 1.7902329 29 Si 2.6980701 0.0360995 -0.0609319 0.0028044 2.6681451 -0.0771158 0.0977192 0.0836687 2.7135098 30 Si 2.6980701 0.0360995 0.0609319 0.0028044 2.6681451 0.0771158 -0.0977192 -0.0836687 2.7135098 31 Si 2.6980701 -0.0360995 -0.0609319 -0.0028044 2.6681451 0.0771158 0.0977192 -0.0836687 2.7135098 32 Si 2.6980701 -0.0360995 0.0609319 -0.0028044 2.6681451 -0.0771158 -0.0977192 0.0836687 2.7135098 ---------------------------------------------------------------------------- Displacement-force dataset was read from "phonopy_mlp_eval_fc2_dataset.yaml.xz". -------------------------------- Symfc start ------------------------------- Symfc version 1.5.4 (https://github.com/symfc/symfc) Citation: A. Seko and A. Togo, Phys. Rev. B, 110, 214302 (2024) Computing [2] order force constants. Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4704 Number of blocks in projector: 4704 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 237 eigenvectors found. (2) Block: 524 / 524 (2) 261 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 236 eigenvectors found. (2) Block: 524 / 524 (2) 264 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 29 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 236 eigenvectors found. (2) Block: 524 / 524 (2) 263 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4704, 4632), data: False |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (1024, 1008), data: False |-- (1024, 14), data: (1024, 30) @ (30, 14) |-- (524, 510), data: False |-- (524, 11), data: (524, 25) @ (25, 11) |-- (274, 263), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 13), data: (500, 29) @ (29, 13) |-- (250, 234), data: True |-- (250, 237), data: True |-- (1024, 1008), data: False |-- (1024, 14), data: (1024, 30) @ (30, 14) |-- (524, 510), data: False |-- (524, 10), data: (524, 24) @ (24, 10) |-- (274, 264), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 14), data: (1024, 30) @ (30, 14) |-- (524, 510), data: False |-- (524, 12), data: (524, 26) @ (26, 12) |-- (274, 261), data: True |-- (250, 237), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True ----- Solver_atoms: 1 -- 128 / 128 Time (Solver_compr_matrix_reshape): 0.016 Solver_block: 100 / 960 - Time: 1.670 Solver_block: 200 / 960 - Time: 1.908 Solver_block: 300 / 960 - Time: 1.871 Solver_block: 400 / 960 - Time: 1.811 Solver_block: 500 / 960 - Time: 1.736 Solver_block: 600 / 960 - Time: 1.815 Solver_block: 700 / 960 - Time: 1.457 Solver_block: 800 / 960 - Time: 1.397 Solver_block: 900 / 960 - Time: 1.560 Solver_block: 960 / 960 - Time: 1.090 Solver: Calculate X.T @ X and X.T @ y (disp @ compr @ eigvecs).T @ (disp @ compr @ eigvecs): 16.878 --------------------------------- Symfc end -------------------------------- Max drift of force constants: -0.00000000 (xx) -0.00000000 (xx) Permutation basis: 384/384 Permutation basis: 18816/18816 Construct permutation basis matrix. Finding block diagonal structure in projector. Using scipy connected_components. Rank of projector: 4704 Number of blocks in projector: 4704 Finding block diagonal structure in projector. Using scipy connected_components. Number of blocks in projector (Sum rule): 6 --- Eigsh_solver_block: 1 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 236 eigenvectors found. (2) Complementary block size: 30 (2) Compute compressed projector. (2) Use standard solver. (2) 14 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 237 eigenvectors found. (2) Block: 524 / 524 (2) 261 eigenvectors found. (2) Complementary block size: 26 (2) Compute compressed projector. (2) Use standard solver. (2) 12 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 2 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 234 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 32 (2) Compute compressed projector. (2) Use standard solver. (2) 16 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 236 eigenvectors found. (2) Block: 524 / 524 (2) 264 eigenvectors found. (2) Complementary block size: 24 (2) Compute compressed projector. (2) Use standard solver. (2) 10 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 3 / 6 --- Block_size: 1024 Use submatrix version of eigh solver. (1) Block: 500 / 1024 (2) Block: 250 / 500 (2) 237 eigenvectors found. (2) Block: 500 / 500 (2) 234 eigenvectors found. (2) Complementary block size: 29 (2) Compute compressed projector. (2) Use standard solver. (2) 13 eigenvectors found. (1) 484 eigenvectors found. (1) Block: 1024 / 1024 (2) Block: 250 / 524 (2) 236 eigenvectors found. (2) Block: 524 / 524 (2) 263 eigenvectors found. (2) Complementary block size: 25 (2) Compute compressed projector. (2) Use standard solver. (2) 11 eigenvectors found. (1) 510 eigenvectors found. (1) Complementary block size: 30 (1) Compute compressed projector. (1) Use standard solver. (1) 14 eigenvectors found. --- Eigsh_solver_block: 4 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 5 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. --- Eigsh_solver_block: 6 / 6 --- Block_size: 544 Use submatrix version of eigh solver. (1) Block: 544 / 544 (2) Block: 250 / 544 (2) 242 eigenvectors found. (2) Block: 544 / 544 (2) 286 eigenvectors found. (2) Complementary block size: 16 (2) Compute compressed projector. (2) Use standard solver. (2) 8 eigenvectors found. (1) 536 eigenvectors found. (1) Complementary block size: 7 (1) Compute compressed projector. (1) Use standard solver. (1) 0 eigenvectors found. Tree of FC basis block matrices: - (4704, 4632), data: False |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (544, 536), data: False |-- (544, 536), data: False |-- (544, 8), data: (544, 16) @ (16, 8) |-- (294, 286), data: True |-- (250, 242), data: True |-- (1024, 1008), data: False |-- (1024, 14), data: (1024, 30) @ (30, 14) |-- (524, 510), data: False |-- (524, 11), data: (524, 25) @ (25, 11) |-- (274, 263), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 13), data: (500, 29) @ (29, 13) |-- (250, 234), data: True |-- (250, 237), data: True |-- (1024, 1008), data: False |-- (1024, 14), data: (1024, 30) @ (30, 14) |-- (524, 510), data: False |-- (524, 10), data: (524, 24) @ (24, 10) |-- (274, 264), data: True |-- (250, 236), data: True |-- (500, 484), data: False |-- (500, 16), data: (500, 32) @ (32, 16) |-- (250, 234), data: True |-- (250, 234), data: True |-- (1024, 1008), data: False |-- (1024, 14), data: (1024, 30) @ (30, 14) |-- (524, 510), data: False |-- (524, 12), data: (524, 26) @ (26, 12) |-- (274, 261), data: True |-- (250, 237), data: True |-- (500, 484), data: False |-- (500, 14), data: (500, 30) @ (30, 14) |-- (250, 236), data: True |-- (250, 234), data: True Max drift after symmetrization by symfc projector: -0.00000000 (xx) -0.00000000 (xx) Force constants are written into "force_constants.hdf5". ---------------------------------------------------------------------------- One of the following run modes may be specified for phonon calculations. - Mesh sampling (MESH, --mesh) - Q-points (QPOINTS, --qpoints) - Band structure (BAND, --band) - Animation (ANIME, --anime) - Modulation (MODULATION, --modulation) - Characters of Irreps (IRREPS, --irreps) - Create displacements (CREATE_DISPLACEMENTS, -d) ---------------------------------------------------------------------------- Summary of calculation was written in "phonopy.yaml". -------------------------[time 2026-01-07 21:38:56]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate fc3 ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:38:57]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: force constants HDF5 data compression filter: gzip Crystal structure was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pna2_1 (33) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.983049080000001 0.000000000000000 0.000000000000000 b 0.000000000000000 5.297293359999999 0.000000000000000 c 0.000000000000000 0.000000000000000 7.043456550000000 Atomic positions (fractional): 1 O 0.88905493145713 0.88855634002071 0.10324126750115 15.999 2 O 0.11094506854287 0.11144365997929 0.60324126750115 15.999 3 O 0.38905493145713 0.61144365997929 0.10324126750115 15.999 4 O 0.61094506854287 0.38855634002071 0.60324126750115 15.999 5 O 0.05220821801337 0.25508628145697 0.16050068878854 15.999 6 O 0.94779178198663 0.74491371854303 0.66050068878854 15.999 7 O 0.55220821801337 0.24491371854303 0.16050068878854 15.999 8 O 0.44779178198663 0.75508628145697 0.66050068878854 15.999 9 O 0.85491484725827 0.33901994096941 0.94109944265807 15.999 10 O 0.14508515274173 0.66098005903059 0.44109944265807 15.999 11 O 0.35491484725827 0.16098005903059 0.94109944265807 15.999 12 O 0.67106640131803 0.77915139025437 0.82396424385071 15.999 13 O 0.82893359868197 0.27915139025437 0.32396424385071 15.999 14 O 0.17106640131803 0.72084860974563 0.82396424385071 15.999 15 O 0.32893359868197 0.22084860974563 0.32396424385071 15.999 16 O 0.64508515274173 0.83901994096941 0.44109944265807 15.999 17 Na 0.08787946896001 0.76200446809661 0.13023366104254 22.990 18 Na 0.34236972741196 0.79107596009330 0.38423993992588 22.990 19 Na 0.15763027258804 0.29107596009330 0.88423993992588 22.990 20 Na 0.84236972741196 0.70892403990670 0.38423993992588 22.990 21 Na 0.91212053103999 0.23799553190339 0.63023366104254 22.990 22 Na 0.58787946896001 0.73799553190339 0.13023366104254 22.990 23 Na 0.41212053103999 0.26200446809661 0.63023366104254 22.990 24 Na 0.65763027258804 0.20892403990670 0.88423993992588 22.990 25 Mg 0.84225425485780 0.69871259131342 0.88027852915141 24.305 26 Mg 0.34225425485780 0.80128740868658 0.88027852915141 24.305 27 Mg 0.15774574514220 0.30128740868658 0.38027852915141 24.305 28 Mg 0.65774574514220 0.19871259131342 0.38027852915141 24.305 29 Si 0.90586345565489 0.19531048344843 0.13244221708170 28.085 30 Si 0.09413654434511 0.80468951655157 0.63244221708170 28.085 31 Si 0.40586345565489 0.30468951655157 0.13244221708170 28.085 32 Si 0.59413654434511 0.69531048344843 0.63244221708170 28.085 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.983049080000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.594586719999999 0.000000000000000 c 0.000000000000000 0.000000000000000 14.086913100000000 Atomic positions (fractional): 1 O 0.88905493145713 0.44427817001036 0.05162063375058 15.999 > 1 2 O 0.88905493145713 0.94427817001036 0.05162063375058 15.999 > 1 3 O 0.88905493145713 0.44427817001036 0.55162063375058 15.999 > 1 4 O 0.88905493145713 0.94427817001036 0.55162063375058 15.999 > 1 5 O 0.11094506854287 0.05572182998964 0.30162063375058 15.999 > 5 6 O 0.11094506854287 0.55572182998964 0.30162063375058 15.999 > 5 7 O 0.11094506854287 0.05572182998964 0.80162063375058 15.999 > 5 8 O 0.11094506854287 0.55572182998964 0.80162063375058 15.999 > 5 9 O 0.38905493145713 0.30572182998964 0.05162063375058 15.999 > 9 10 O 0.38905493145713 0.80572182998964 0.05162063375058 15.999 > 9 11 O 0.38905493145713 0.30572182998964 0.55162063375058 15.999 > 9 12 O 0.38905493145713 0.80572182998964 0.55162063375058 15.999 > 9 13 O 0.61094506854287 0.19427817001036 0.30162063375058 15.999 > 13 14 O 0.61094506854287 0.69427817001036 0.30162063375058 15.999 > 13 15 O 0.61094506854287 0.19427817001036 0.80162063375058 15.999 > 13 16 O 0.61094506854287 0.69427817001036 0.80162063375058 15.999 > 13 17 O 0.05220821801337 0.12754314072849 0.08025034439427 15.999 > 17 18 O 0.05220821801337 0.62754314072849 0.08025034439427 15.999 > 17 19 O 0.05220821801337 0.12754314072849 0.58025034439427 15.999 > 17 20 O 0.05220821801337 0.62754314072849 0.58025034439427 15.999 > 17 21 O 0.94779178198663 0.37245685927151 0.33025034439427 15.999 > 21 22 O 0.94779178198663 0.87245685927151 0.33025034439427 15.999 > 21 23 O 0.94779178198663 0.37245685927151 0.83025034439427 15.999 > 21 24 O 0.94779178198663 0.87245685927151 0.83025034439427 15.999 > 21 25 O 0.55220821801337 0.12245685927151 0.08025034439427 15.999 > 25 26 O 0.55220821801337 0.62245685927151 0.08025034439427 15.999 > 25 27 O 0.55220821801337 0.12245685927151 0.58025034439427 15.999 > 25 28 O 0.55220821801337 0.62245685927151 0.58025034439427 15.999 > 25 29 O 0.44779178198663 0.37754314072849 0.33025034439427 15.999 > 29 30 O 0.44779178198663 0.87754314072849 0.33025034439427 15.999 > 29 31 O 0.44779178198663 0.37754314072849 0.83025034439427 15.999 > 29 32 O 0.44779178198663 0.87754314072849 0.83025034439427 15.999 > 29 33 O 0.85491484725827 0.16950997048470 0.47054972132903 15.999 > 33 34 O 0.85491484725827 0.66950997048470 0.47054972132903 15.999 > 33 35 O 0.85491484725827 0.16950997048470 0.97054972132903 15.999 > 33 36 O 0.85491484725827 0.66950997048470 0.97054972132903 15.999 > 33 37 O 0.14508515274173 0.33049002951530 0.22054972132903 15.999 > 37 38 O 0.14508515274173 0.83049002951530 0.22054972132903 15.999 > 37 39 O 0.14508515274173 0.33049002951530 0.72054972132903 15.999 > 37 40 O 0.14508515274173 0.83049002951530 0.72054972132903 15.999 > 37 41 O 0.35491484725827 0.08049002951530 0.47054972132903 15.999 > 41 42 O 0.35491484725827 0.58049002951530 0.47054972132903 15.999 > 41 43 O 0.35491484725827 0.08049002951530 0.97054972132903 15.999 > 41 44 O 0.35491484725827 0.58049002951530 0.97054972132903 15.999 > 41 45 O 0.67106640131803 0.38957569512718 0.41198212192535 15.999 > 45 46 O 0.67106640131803 0.88957569512718 0.41198212192535 15.999 > 45 47 O 0.67106640131803 0.38957569512718 0.91198212192535 15.999 > 45 48 O 0.67106640131803 0.88957569512718 0.91198212192535 15.999 > 45 49 O 0.82893359868197 0.13957569512718 0.16198212192535 15.999 > 49 50 O 0.82893359868197 0.63957569512718 0.16198212192535 15.999 > 49 51 O 0.82893359868197 0.13957569512718 0.66198212192535 15.999 > 49 52 O 0.82893359868197 0.63957569512718 0.66198212192535 15.999 > 49 53 O 0.17106640131803 0.36042430487282 0.41198212192535 15.999 > 53 54 O 0.17106640131803 0.86042430487282 0.41198212192535 15.999 > 53 55 O 0.17106640131803 0.36042430487282 0.91198212192535 15.999 > 53 56 O 0.17106640131803 0.86042430487282 0.91198212192535 15.999 > 53 57 O 0.32893359868197 0.11042430487282 0.16198212192535 15.999 > 57 58 O 0.32893359868197 0.61042430487282 0.16198212192535 15.999 > 57 59 O 0.32893359868197 0.11042430487282 0.66198212192535 15.999 > 57 60 O 0.32893359868197 0.61042430487282 0.66198212192535 15.999 > 57 61 O 0.64508515274173 0.41950997048470 0.22054972132903 15.999 > 61 62 O 0.64508515274173 0.91950997048470 0.22054972132903 15.999 > 61 63 O 0.64508515274173 0.41950997048470 0.72054972132903 15.999 > 61 64 O 0.64508515274173 0.91950997048470 0.72054972132903 15.999 > 61 65 Na 0.08787946896001 0.38100223404830 0.06511683052127 22.990 > 65 66 Na 0.08787946896001 0.88100223404830 0.06511683052127 22.990 > 65 67 Na 0.08787946896001 0.38100223404830 0.56511683052127 22.990 > 65 68 Na 0.08787946896001 0.88100223404830 0.56511683052127 22.990 > 65 69 Na 0.34236972741196 0.39553798004665 0.19211996996294 22.990 > 69 70 Na 0.34236972741196 0.89553798004665 0.19211996996294 22.990 > 69 71 Na 0.34236972741196 0.39553798004665 0.69211996996294 22.990 > 69 72 Na 0.34236972741196 0.89553798004665 0.69211996996294 22.990 > 69 73 Na 0.15763027258804 0.14553798004665 0.44211996996294 22.990 > 73 74 Na 0.15763027258804 0.64553798004665 0.44211996996294 22.990 > 73 75 Na 0.15763027258804 0.14553798004665 0.94211996996294 22.990 > 73 76 Na 0.15763027258804 0.64553798004665 0.94211996996294 22.990 > 73 77 Na 0.84236972741196 0.35446201995335 0.19211996996294 22.990 > 77 78 Na 0.84236972741196 0.85446201995335 0.19211996996294 22.990 > 77 79 Na 0.84236972741196 0.35446201995335 0.69211996996294 22.990 > 77 80 Na 0.84236972741196 0.85446201995335 0.69211996996294 22.990 > 77 81 Na 0.91212053103999 0.11899776595170 0.31511683052127 22.990 > 81 82 Na 0.91212053103999 0.61899776595170 0.31511683052127 22.990 > 81 83 Na 0.91212053103999 0.11899776595170 0.81511683052127 22.990 > 81 84 Na 0.91212053103999 0.61899776595170 0.81511683052127 22.990 > 81 85 Na 0.58787946896001 0.36899776595170 0.06511683052127 22.990 > 85 86 Na 0.58787946896001 0.86899776595170 0.06511683052127 22.990 > 85 87 Na 0.58787946896001 0.36899776595170 0.56511683052127 22.990 > 85 88 Na 0.58787946896001 0.86899776595170 0.56511683052127 22.990 > 85 89 Na 0.41212053103999 0.13100223404830 0.31511683052127 22.990 > 89 90 Na 0.41212053103999 0.63100223404830 0.31511683052127 22.990 > 89 91 Na 0.41212053103999 0.13100223404830 0.81511683052127 22.990 > 89 92 Na 0.41212053103999 0.63100223404830 0.81511683052127 22.990 > 89 93 Na 0.65763027258804 0.10446201995335 0.44211996996294 22.990 > 93 94 Na 0.65763027258804 0.60446201995335 0.44211996996294 22.990 > 93 95 Na 0.65763027258804 0.10446201995335 0.94211996996294 22.990 > 93 96 Na 0.65763027258804 0.60446201995335 0.94211996996294 22.990 > 93 97 Mg 0.84225425485780 0.34935629565671 0.44013926457570 24.305 > 97 98 Mg 0.84225425485780 0.84935629565671 0.44013926457570 24.305 > 97 99 Mg 0.84225425485780 0.34935629565671 0.94013926457570 24.305 > 97 100 Mg 0.84225425485780 0.84935629565671 0.94013926457570 24.305 > 97 101 Mg 0.34225425485780 0.40064370434329 0.44013926457570 24.305 > 101 102 Mg 0.34225425485780 0.90064370434329 0.44013926457570 24.305 > 101 103 Mg 0.34225425485780 0.40064370434329 0.94013926457570 24.305 > 101 104 Mg 0.34225425485780 0.90064370434329 0.94013926457570 24.305 > 101 105 Mg 0.15774574514220 0.15064370434329 0.19013926457570 24.305 > 105 106 Mg 0.15774574514220 0.65064370434329 0.19013926457570 24.305 > 105 107 Mg 0.15774574514220 0.15064370434329 0.69013926457570 24.305 > 105 108 Mg 0.15774574514220 0.65064370434329 0.69013926457570 24.305 > 105 109 Mg 0.65774574514220 0.09935629565671 0.19013926457570 24.305 > 109 110 Mg 0.65774574514220 0.59935629565671 0.19013926457570 24.305 > 109 111 Mg 0.65774574514220 0.09935629565671 0.69013926457570 24.305 > 109 112 Mg 0.65774574514220 0.59935629565671 0.69013926457570 24.305 > 109 113 Si 0.90586345565489 0.09765524172421 0.06622110854085 28.085 > 113 114 Si 0.90586345565489 0.59765524172421 0.06622110854085 28.085 > 113 115 Si 0.90586345565489 0.09765524172421 0.56622110854085 28.085 > 113 116 Si 0.90586345565489 0.59765524172421 0.56622110854085 28.085 > 113 117 Si 0.09413654434511 0.40234475827579 0.31622110854085 28.085 > 117 118 Si 0.09413654434511 0.90234475827579 0.31622110854085 28.085 > 117 119 Si 0.09413654434511 0.40234475827579 0.81622110854085 28.085 > 117 120 Si 0.09413654434511 0.90234475827579 0.81622110854085 28.085 > 117 121 Si 0.40586345565489 0.15234475827579 0.06622110854085 28.085 > 121 122 Si 0.40586345565489 0.65234475827579 0.06622110854085 28.085 > 121 123 Si 0.40586345565489 0.15234475827579 0.56622110854085 28.085 > 121 124 Si 0.40586345565489 0.65234475827579 0.56622110854085 28.085 > 121 125 Si 0.59413654434511 0.34765524172421 0.31622110854085 28.085 > 125 126 Si 0.59413654434511 0.84765524172421 0.31622110854085 28.085 > 125 127 Si 0.59413654434511 0.34765524172421 0.81622110854085 28.085 > 125 128 Si 0.59413654434511 0.84765524172421 0.81622110854085 28.085 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py_mlp_eval_fc3_disp.yaml.xz". --------------------------- Dielectric constant ---------------------------- 2.5632889 0.0000000 0.0000000 0.0000000 2.5600230 0.0000000 0.0000000 0.0000000 2.5247329 -------------------------- Born effective charges -------------------------- 1 O -1.2936010 -0.1181171 -0.0256887 -0.1214162 -2.2178235 -0.2515774 -0.0739867 -0.2620092 -1.4424601 2 O -1.2936010 -0.1181171 0.0256887 -0.1214162 -2.2178235 0.2515774 0.0739867 0.2620092 -1.4424601 3 O -1.2936010 0.1181171 -0.0256887 0.1214162 -2.2178235 0.2515774 -0.0739867 0.2620092 -1.4424601 4 O -1.2936010 0.1181171 0.0256887 0.1214162 -2.2178235 -0.2515774 0.0739867 -0.2620092 -1.4424601 5 O -2.2158388 -0.1715120 -0.2583987 -0.1972729 -1.3521191 -0.0336957 -0.2674690 -0.0633224 -1.4424628 6 O -2.2158388 -0.1715120 0.2583987 -0.1972729 -1.3521191 0.0336957 0.2674690 0.0633224 -1.4424628 7 O -2.2158388 0.1715120 -0.2583987 0.1972729 -1.3521191 0.0336957 -0.2674690 0.0633224 -1.4424628 8 O -2.2158388 0.1715120 0.2583987 0.1972729 -1.3521191 -0.0336957 0.2674690 -0.0633224 -1.4424628 9 O -1.3754230 0.1433064 -0.2013552 0.1594838 -1.7651830 0.4249432 -0.2626023 0.4099366 -1.8534350 10 O -1.3754230 0.1433064 0.2013552 0.1594838 -1.7651830 -0.4249432 0.2626023 -0.4099366 -1.8534350 11 O -1.3754230 -0.1433064 -0.2013552 -0.1594838 -1.7651830 -0.4249432 -0.2626023 -0.4099366 -1.8534350 12 O -1.7866609 -0.0676078 -0.4396717 -0.0937113 -1.3590877 -0.1738961 -0.4377405 -0.1704124 -1.8488212 13 O -1.7866609 0.0676078 0.4396717 0.0937113 -1.3590877 -0.1738961 0.4377405 -0.1704124 -1.8488212 14 O -1.7866609 0.0676078 -0.4396717 0.0937113 -1.3590877 0.1738961 -0.4377405 0.1704124 -1.8488212 15 O -1.7866609 -0.0676078 0.4396717 -0.0937113 -1.3590877 0.1738961 0.4377405 0.1704124 -1.8488212 16 O -1.3754230 -0.1433064 0.2013552 -0.1594838 -1.7651830 0.4249432 0.2626023 0.4099366 -1.8534350 17 Na 1.0250417 -0.0130751 -0.0000777 -0.0401492 1.1062512 -0.0048859 0.0009611 -0.0115355 1.0888517 18 Na 1.0358609 0.0054672 -0.0078468 -0.0064714 1.0402129 0.0091995 -0.0286987 -0.0026866 0.9945847 19 Na 1.0358609 -0.0054672 0.0078468 0.0064714 1.0402129 0.0091995 0.0286987 -0.0026866 0.9945847 20 Na 1.0358609 -0.0054672 -0.0078468 0.0064714 1.0402129 -0.0091995 -0.0286987 0.0026866 0.9945847 21 Na 1.0250417 -0.0130751 0.0000777 -0.0401492 1.1062512 0.0048859 -0.0009611 0.0115355 1.0888517 22 Na 1.0250417 0.0130751 -0.0000777 0.0401492 1.1062512 0.0048859 0.0009611 0.0115355 1.0888517 23 Na 1.0250417 0.0130751 0.0000777 0.0401492 1.1062512 -0.0048859 -0.0009611 -0.0115355 1.0888517 24 Na 1.0358609 0.0054672 0.0078468 -0.0064714 1.0402129 -0.0091995 0.0286987 0.0026866 0.9945847 25 Mg 1.9125510 -0.0248274 -0.0404883 0.0641380 1.8796040 0.0663187 0.1187219 -0.0754655 1.7902329 26 Mg 1.9125510 0.0248274 -0.0404883 -0.0641380 1.8796040 -0.0663187 0.1187219 0.0754655 1.7902329 27 Mg 1.9125510 -0.0248274 0.0404883 0.0641380 1.8796040 -0.0663187 -0.1187219 0.0754655 1.7902329 28 Mg 1.9125510 0.0248274 0.0404883 -0.0641380 1.8796040 0.0663187 -0.1187219 -0.0754655 1.7902329 29 Si 2.6980701 0.0360995 -0.0609319 0.0028044 2.6681451 -0.0771158 0.0977192 0.0836687 2.7135098 30 Si 2.6980701 0.0360995 0.0609319 0.0028044 2.6681451 0.0771158 -0.0977192 -0.0836687 2.7135098 31 Si 2.6980701 -0.0360995 -0.0609319 -0.0028044 2.6681451 0.0771158 0.0977192 -0.0836687 2.7135098 32 Si 2.6980701 -0.0360995 0.0609319 -0.0028044 2.6681451 -0.0771158 -0.0977192 0.0836687 2.7135098 ---------------------------------------------------------------------------- Sets of supercell forces were read from "FORCES_FC3.xz". Displacement dataset for fc3 was read from "phono3py_mlp_eval_fc3_disp.yaml.xz". ----------------------------- Force constants ------------------------------ Computing fc3[ 1, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 17, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 33, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 45, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 65, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 69, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 97, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Computing fc3[ 113, x, x ] using numpy.linalg.pinv. Displacements (in Angstrom): [ 0.0100 0.0000 0.0000] [-0.0100 0.0000 0.0000] [ 0.0000 0.0100 0.0000] [ 0.0000 -0.0100 0.0000] [ 0.0000 0.0000 0.0100] [ 0.0000 0.0000 -0.0100] Expanding fc3. Symmetrizing fc3 by traditional approach (N=3). Symmetrizing fc2 by traditional approach (N=3). Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) fc3 was written into "fc3.hdf5". Max drift of fc2: 0.00000000 (yx) 0.00000000 (yx) fc2 was written into "fc2.hdf5". --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperatures: 0.0 300.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 ----------- None of ph-ph interaction calculation was performed. ----------- Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:39:44]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_| ---------------------------- ------ calculate LTC ------- ---------------------------- _ _____ _ __ | |__ ___ _ __ ___|___ / _ __ _ _ | '_ \| '_ \ / _ \| '_ \ / _ \ |_ \| '_ \| | | | | |_) | | | | (_) | | | | (_) |__) | |_) | |_| | | .__/|_| |_|\___/|_| |_|\___/____/| .__/ \__, | |_| |_| |___/ 3.23.0 -------------------------[time 2026-01-07 21:39:44]------------------------- Compiled with OpenMP support (max 128 threads). Running in phono3py.load mode. Python version 3.14.2 Spglib version 2.6.1 ----------------------------- General settings ----------------------------- Run mode: conductivity-RTA HDF5 data compression filter: gzip Crystal structure was read from "phono3py.yaml". Supercell (dim): [1 2 2] Primitive matrix: [1. 0. 0.] [0. 1. 0.] [0. 0. 1.] Spacegroup: Pna2_1 (33) ------------------------------ primitive cell ------------------------------ Lattice vectors: a 10.983049080000001 0.000000000000000 0.000000000000000 b 0.000000000000000 5.297293359999999 0.000000000000000 c 0.000000000000000 0.000000000000000 7.043456550000000 Atomic positions (fractional): 1 O 0.88905493145713 0.88855634002071 0.10324126750115 15.999 2 O 0.11094506854287 0.11144365997929 0.60324126750115 15.999 3 O 0.38905493145713 0.61144365997929 0.10324126750115 15.999 4 O 0.61094506854287 0.38855634002071 0.60324126750115 15.999 5 O 0.05220821801337 0.25508628145697 0.16050068878854 15.999 6 O 0.94779178198663 0.74491371854303 0.66050068878854 15.999 7 O 0.55220821801337 0.24491371854303 0.16050068878854 15.999 8 O 0.44779178198663 0.75508628145697 0.66050068878854 15.999 9 O 0.85491484725827 0.33901994096941 0.94109944265807 15.999 10 O 0.14508515274173 0.66098005903059 0.44109944265807 15.999 11 O 0.35491484725827 0.16098005903059 0.94109944265807 15.999 12 O 0.67106640131803 0.77915139025437 0.82396424385071 15.999 13 O 0.82893359868197 0.27915139025437 0.32396424385071 15.999 14 O 0.17106640131803 0.72084860974563 0.82396424385071 15.999 15 O 0.32893359868197 0.22084860974563 0.32396424385071 15.999 16 O 0.64508515274173 0.83901994096941 0.44109944265807 15.999 17 Na 0.08787946896001 0.76200446809661 0.13023366104254 22.990 18 Na 0.34236972741196 0.79107596009330 0.38423993992588 22.990 19 Na 0.15763027258804 0.29107596009330 0.88423993992588 22.990 20 Na 0.84236972741196 0.70892403990670 0.38423993992588 22.990 21 Na 0.91212053103999 0.23799553190339 0.63023366104254 22.990 22 Na 0.58787946896001 0.73799553190339 0.13023366104254 22.990 23 Na 0.41212053103999 0.26200446809661 0.63023366104254 22.990 24 Na 0.65763027258804 0.20892403990670 0.88423993992588 22.990 25 Mg 0.84225425485780 0.69871259131342 0.88027852915141 24.305 26 Mg 0.34225425485780 0.80128740868658 0.88027852915141 24.305 27 Mg 0.15774574514220 0.30128740868658 0.38027852915141 24.305 28 Mg 0.65774574514220 0.19871259131342 0.38027852915141 24.305 29 Si 0.90586345565489 0.19531048344843 0.13244221708170 28.085 30 Si 0.09413654434511 0.80468951655157 0.63244221708170 28.085 31 Si 0.40586345565489 0.30468951655157 0.13244221708170 28.085 32 Si 0.59413654434511 0.69531048344843 0.63244221708170 28.085 -------------------------------- supercell --------------------------------- Lattice vectors: a 10.983049080000001 0.000000000000000 0.000000000000000 b 0.000000000000000 10.594586719999999 0.000000000000000 c 0.000000000000000 0.000000000000000 14.086913100000000 Atomic positions (fractional): 1 O 0.88905493145713 0.44427817001036 0.05162063375058 15.999 > 1 2 O 0.88905493145713 0.94427817001036 0.05162063375058 15.999 > 1 3 O 0.88905493145713 0.44427817001036 0.55162063375058 15.999 > 1 4 O 0.88905493145713 0.94427817001036 0.55162063375058 15.999 > 1 5 O 0.11094506854287 0.05572182998964 0.30162063375058 15.999 > 5 6 O 0.11094506854287 0.55572182998964 0.30162063375058 15.999 > 5 7 O 0.11094506854287 0.05572182998964 0.80162063375058 15.999 > 5 8 O 0.11094506854287 0.55572182998964 0.80162063375058 15.999 > 5 9 O 0.38905493145713 0.30572182998964 0.05162063375058 15.999 > 9 10 O 0.38905493145713 0.80572182998964 0.05162063375058 15.999 > 9 11 O 0.38905493145713 0.30572182998964 0.55162063375058 15.999 > 9 12 O 0.38905493145713 0.80572182998964 0.55162063375058 15.999 > 9 13 O 0.61094506854287 0.19427817001036 0.30162063375058 15.999 > 13 14 O 0.61094506854287 0.69427817001036 0.30162063375058 15.999 > 13 15 O 0.61094506854287 0.19427817001036 0.80162063375058 15.999 > 13 16 O 0.61094506854287 0.69427817001036 0.80162063375058 15.999 > 13 17 O 0.05220821801337 0.12754314072849 0.08025034439427 15.999 > 17 18 O 0.05220821801337 0.62754314072849 0.08025034439427 15.999 > 17 19 O 0.05220821801337 0.12754314072849 0.58025034439427 15.999 > 17 20 O 0.05220821801337 0.62754314072849 0.58025034439427 15.999 > 17 21 O 0.94779178198663 0.37245685927151 0.33025034439427 15.999 > 21 22 O 0.94779178198663 0.87245685927151 0.33025034439427 15.999 > 21 23 O 0.94779178198663 0.37245685927151 0.83025034439427 15.999 > 21 24 O 0.94779178198663 0.87245685927151 0.83025034439427 15.999 > 21 25 O 0.55220821801337 0.12245685927151 0.08025034439427 15.999 > 25 26 O 0.55220821801337 0.62245685927151 0.08025034439427 15.999 > 25 27 O 0.55220821801337 0.12245685927151 0.58025034439427 15.999 > 25 28 O 0.55220821801337 0.62245685927151 0.58025034439427 15.999 > 25 29 O 0.44779178198663 0.37754314072849 0.33025034439427 15.999 > 29 30 O 0.44779178198663 0.87754314072849 0.33025034439427 15.999 > 29 31 O 0.44779178198663 0.37754314072849 0.83025034439427 15.999 > 29 32 O 0.44779178198663 0.87754314072849 0.83025034439427 15.999 > 29 33 O 0.85491484725827 0.16950997048470 0.47054972132903 15.999 > 33 34 O 0.85491484725827 0.66950997048470 0.47054972132903 15.999 > 33 35 O 0.85491484725827 0.16950997048470 0.97054972132903 15.999 > 33 36 O 0.85491484725827 0.66950997048470 0.97054972132903 15.999 > 33 37 O 0.14508515274173 0.33049002951530 0.22054972132903 15.999 > 37 38 O 0.14508515274173 0.83049002951530 0.22054972132903 15.999 > 37 39 O 0.14508515274173 0.33049002951530 0.72054972132903 15.999 > 37 40 O 0.14508515274173 0.83049002951530 0.72054972132903 15.999 > 37 41 O 0.35491484725827 0.08049002951530 0.47054972132903 15.999 > 41 42 O 0.35491484725827 0.58049002951530 0.47054972132903 15.999 > 41 43 O 0.35491484725827 0.08049002951530 0.97054972132903 15.999 > 41 44 O 0.35491484725827 0.58049002951530 0.97054972132903 15.999 > 41 45 O 0.67106640131803 0.38957569512718 0.41198212192535 15.999 > 45 46 O 0.67106640131803 0.88957569512718 0.41198212192535 15.999 > 45 47 O 0.67106640131803 0.38957569512718 0.91198212192535 15.999 > 45 48 O 0.67106640131803 0.88957569512718 0.91198212192535 15.999 > 45 49 O 0.82893359868197 0.13957569512718 0.16198212192535 15.999 > 49 50 O 0.82893359868197 0.63957569512718 0.16198212192535 15.999 > 49 51 O 0.82893359868197 0.13957569512718 0.66198212192535 15.999 > 49 52 O 0.82893359868197 0.63957569512718 0.66198212192535 15.999 > 49 53 O 0.17106640131803 0.36042430487282 0.41198212192535 15.999 > 53 54 O 0.17106640131803 0.86042430487282 0.41198212192535 15.999 > 53 55 O 0.17106640131803 0.36042430487282 0.91198212192535 15.999 > 53 56 O 0.17106640131803 0.86042430487282 0.91198212192535 15.999 > 53 57 O 0.32893359868197 0.11042430487282 0.16198212192535 15.999 > 57 58 O 0.32893359868197 0.61042430487282 0.16198212192535 15.999 > 57 59 O 0.32893359868197 0.11042430487282 0.66198212192535 15.999 > 57 60 O 0.32893359868197 0.61042430487282 0.66198212192535 15.999 > 57 61 O 0.64508515274173 0.41950997048470 0.22054972132903 15.999 > 61 62 O 0.64508515274173 0.91950997048470 0.22054972132903 15.999 > 61 63 O 0.64508515274173 0.41950997048470 0.72054972132903 15.999 > 61 64 O 0.64508515274173 0.91950997048470 0.72054972132903 15.999 > 61 65 Na 0.08787946896001 0.38100223404830 0.06511683052127 22.990 > 65 66 Na 0.08787946896001 0.88100223404830 0.06511683052127 22.990 > 65 67 Na 0.08787946896001 0.38100223404830 0.56511683052127 22.990 > 65 68 Na 0.08787946896001 0.88100223404830 0.56511683052127 22.990 > 65 69 Na 0.34236972741196 0.39553798004665 0.19211996996294 22.990 > 69 70 Na 0.34236972741196 0.89553798004665 0.19211996996294 22.990 > 69 71 Na 0.34236972741196 0.39553798004665 0.69211996996294 22.990 > 69 72 Na 0.34236972741196 0.89553798004665 0.69211996996294 22.990 > 69 73 Na 0.15763027258804 0.14553798004665 0.44211996996294 22.990 > 73 74 Na 0.15763027258804 0.64553798004665 0.44211996996294 22.990 > 73 75 Na 0.15763027258804 0.14553798004665 0.94211996996294 22.990 > 73 76 Na 0.15763027258804 0.64553798004665 0.94211996996294 22.990 > 73 77 Na 0.84236972741196 0.35446201995335 0.19211996996294 22.990 > 77 78 Na 0.84236972741196 0.85446201995335 0.19211996996294 22.990 > 77 79 Na 0.84236972741196 0.35446201995335 0.69211996996294 22.990 > 77 80 Na 0.84236972741196 0.85446201995335 0.69211996996294 22.990 > 77 81 Na 0.91212053103999 0.11899776595170 0.31511683052127 22.990 > 81 82 Na 0.91212053103999 0.61899776595170 0.31511683052127 22.990 > 81 83 Na 0.91212053103999 0.11899776595170 0.81511683052127 22.990 > 81 84 Na 0.91212053103999 0.61899776595170 0.81511683052127 22.990 > 81 85 Na 0.58787946896001 0.36899776595170 0.06511683052127 22.990 > 85 86 Na 0.58787946896001 0.86899776595170 0.06511683052127 22.990 > 85 87 Na 0.58787946896001 0.36899776595170 0.56511683052127 22.990 > 85 88 Na 0.58787946896001 0.86899776595170 0.56511683052127 22.990 > 85 89 Na 0.41212053103999 0.13100223404830 0.31511683052127 22.990 > 89 90 Na 0.41212053103999 0.63100223404830 0.31511683052127 22.990 > 89 91 Na 0.41212053103999 0.13100223404830 0.81511683052127 22.990 > 89 92 Na 0.41212053103999 0.63100223404830 0.81511683052127 22.990 > 89 93 Na 0.65763027258804 0.10446201995335 0.44211996996294 22.990 > 93 94 Na 0.65763027258804 0.60446201995335 0.44211996996294 22.990 > 93 95 Na 0.65763027258804 0.10446201995335 0.94211996996294 22.990 > 93 96 Na 0.65763027258804 0.60446201995335 0.94211996996294 22.990 > 93 97 Mg 0.84225425485780 0.34935629565671 0.44013926457570 24.305 > 97 98 Mg 0.84225425485780 0.84935629565671 0.44013926457570 24.305 > 97 99 Mg 0.84225425485780 0.34935629565671 0.94013926457570 24.305 > 97 100 Mg 0.84225425485780 0.84935629565671 0.94013926457570 24.305 > 97 101 Mg 0.34225425485780 0.40064370434329 0.44013926457570 24.305 > 101 102 Mg 0.34225425485780 0.90064370434329 0.44013926457570 24.305 > 101 103 Mg 0.34225425485780 0.40064370434329 0.94013926457570 24.305 > 101 104 Mg 0.34225425485780 0.90064370434329 0.94013926457570 24.305 > 101 105 Mg 0.15774574514220 0.15064370434329 0.19013926457570 24.305 > 105 106 Mg 0.15774574514220 0.65064370434329 0.19013926457570 24.305 > 105 107 Mg 0.15774574514220 0.15064370434329 0.69013926457570 24.305 > 105 108 Mg 0.15774574514220 0.65064370434329 0.69013926457570 24.305 > 105 109 Mg 0.65774574514220 0.09935629565671 0.19013926457570 24.305 > 109 110 Mg 0.65774574514220 0.59935629565671 0.19013926457570 24.305 > 109 111 Mg 0.65774574514220 0.09935629565671 0.69013926457570 24.305 > 109 112 Mg 0.65774574514220 0.59935629565671 0.69013926457570 24.305 > 109 113 Si 0.90586345565489 0.09765524172421 0.06622110854085 28.085 > 113 114 Si 0.90586345565489 0.59765524172421 0.06622110854085 28.085 > 113 115 Si 0.90586345565489 0.09765524172421 0.56622110854085 28.085 > 113 116 Si 0.90586345565489 0.59765524172421 0.56622110854085 28.085 > 113 117 Si 0.09413654434511 0.40234475827579 0.31622110854085 28.085 > 117 118 Si 0.09413654434511 0.90234475827579 0.31622110854085 28.085 > 117 119 Si 0.09413654434511 0.40234475827579 0.81622110854085 28.085 > 117 120 Si 0.09413654434511 0.90234475827579 0.81622110854085 28.085 > 117 121 Si 0.40586345565489 0.15234475827579 0.06622110854085 28.085 > 121 122 Si 0.40586345565489 0.65234475827579 0.06622110854085 28.085 > 121 123 Si 0.40586345565489 0.15234475827579 0.56622110854085 28.085 > 121 124 Si 0.40586345565489 0.65234475827579 0.56622110854085 28.085 > 121 125 Si 0.59413654434511 0.34765524172421 0.31622110854085 28.085 > 125 126 Si 0.59413654434511 0.84765524172421 0.31622110854085 28.085 > 125 127 Si 0.59413654434511 0.34765524172421 0.81622110854085 28.085 > 125 128 Si 0.59413654434511 0.84765524172421 0.81622110854085 28.085 > 125 ---------------------------------------------------------------------------- NAC parameters were read from "phono3py.yaml". --------------------------- Dielectric constant ---------------------------- 2.5632889 0.0000000 0.0000000 0.0000000 2.5600230 0.0000000 0.0000000 0.0000000 2.5247329 -------------------------- Born effective charges -------------------------- 1 O -1.2936010 -0.1181171 -0.0256887 -0.1214162 -2.2178235 -0.2515774 -0.0739867 -0.2620092 -1.4424601 2 O -1.2936010 -0.1181171 0.0256887 -0.1214162 -2.2178235 0.2515774 0.0739867 0.2620092 -1.4424601 3 O -1.2936010 0.1181171 -0.0256887 0.1214162 -2.2178235 0.2515774 -0.0739867 0.2620092 -1.4424601 4 O -1.2936010 0.1181171 0.0256887 0.1214162 -2.2178235 -0.2515774 0.0739867 -0.2620092 -1.4424601 5 O -2.2158388 -0.1715120 -0.2583987 -0.1972729 -1.3521191 -0.0336957 -0.2674690 -0.0633224 -1.4424628 6 O -2.2158388 -0.1715120 0.2583987 -0.1972729 -1.3521191 0.0336957 0.2674690 0.0633224 -1.4424628 7 O -2.2158388 0.1715120 -0.2583987 0.1972729 -1.3521191 0.0336957 -0.2674690 0.0633224 -1.4424628 8 O -2.2158388 0.1715120 0.2583987 0.1972729 -1.3521191 -0.0336957 0.2674690 -0.0633224 -1.4424628 9 O -1.3754230 0.1433064 -0.2013552 0.1594838 -1.7651830 0.4249432 -0.2626023 0.4099366 -1.8534350 10 O -1.3754230 0.1433064 0.2013552 0.1594838 -1.7651830 -0.4249432 0.2626023 -0.4099366 -1.8534350 11 O -1.3754230 -0.1433064 -0.2013552 -0.1594838 -1.7651830 -0.4249432 -0.2626023 -0.4099366 -1.8534350 12 O -1.7866609 -0.0676078 -0.4396717 -0.0937113 -1.3590877 -0.1738961 -0.4377405 -0.1704124 -1.8488212 13 O -1.7866609 0.0676078 0.4396717 0.0937113 -1.3590877 -0.1738961 0.4377405 -0.1704124 -1.8488212 14 O -1.7866609 0.0676078 -0.4396717 0.0937113 -1.3590877 0.1738961 -0.4377405 0.1704124 -1.8488212 15 O -1.7866609 -0.0676078 0.4396717 -0.0937113 -1.3590877 0.1738961 0.4377405 0.1704124 -1.8488212 16 O -1.3754230 -0.1433064 0.2013552 -0.1594838 -1.7651830 0.4249432 0.2626023 0.4099366 -1.8534350 17 Na 1.0250417 -0.0130751 -0.0000777 -0.0401492 1.1062512 -0.0048859 0.0009611 -0.0115355 1.0888517 18 Na 1.0358609 0.0054672 -0.0078468 -0.0064714 1.0402129 0.0091995 -0.0286987 -0.0026866 0.9945847 19 Na 1.0358609 -0.0054672 0.0078468 0.0064714 1.0402129 0.0091995 0.0286987 -0.0026866 0.9945847 20 Na 1.0358609 -0.0054672 -0.0078468 0.0064714 1.0402129 -0.0091995 -0.0286987 0.0026866 0.9945847 21 Na 1.0250417 -0.0130751 0.0000777 -0.0401492 1.1062512 0.0048859 -0.0009611 0.0115355 1.0888517 22 Na 1.0250417 0.0130751 -0.0000777 0.0401492 1.1062512 0.0048859 0.0009611 0.0115355 1.0888517 23 Na 1.0250417 0.0130751 0.0000777 0.0401492 1.1062512 -0.0048859 -0.0009611 -0.0115355 1.0888517 24 Na 1.0358609 0.0054672 0.0078468 -0.0064714 1.0402129 -0.0091995 0.0286987 0.0026866 0.9945847 25 Mg 1.9125510 -0.0248274 -0.0404883 0.0641380 1.8796040 0.0663187 0.1187219 -0.0754655 1.7902329 26 Mg 1.9125510 0.0248274 -0.0404883 -0.0641380 1.8796040 -0.0663187 0.1187219 0.0754655 1.7902329 27 Mg 1.9125510 -0.0248274 0.0404883 0.0641380 1.8796040 -0.0663187 -0.1187219 0.0754655 1.7902329 28 Mg 1.9125510 0.0248274 0.0404883 -0.0641380 1.8796040 0.0663187 -0.1187219 -0.0754655 1.7902329 29 Si 2.6980701 0.0360995 -0.0609319 0.0028044 2.6681451 -0.0771158 0.0977192 0.0836687 2.7135098 30 Si 2.6980701 0.0360995 0.0609319 0.0028044 2.6681451 0.0771158 -0.0977192 -0.0836687 2.7135098 31 Si 2.6980701 -0.0360995 -0.0609319 -0.0028044 2.6681451 0.0771158 0.0977192 -0.0836687 2.7135098 32 Si 2.6980701 -0.0360995 0.0609319 -0.0028044 2.6681451 -0.0771158 -0.0977192 0.0836687 2.7135098 ---------------------------------------------------------------------------- fc3 was read from "fc3.hdf5". fc2 was read from "fc2.hdf5". ----------------------------- Force constants ------------------------------ Max drift of fc3: -0.00000001 (yyy) -0.00000001 (yyy) -0.00000001 (yyy) Max drift of fc2: -0.00000000 (xx) -0.00000000 (xx) --------------------------- Calculation settings --------------------------- Non-analytical term correction (NAC): True NAC unit conversion factor: 14.39965 BZ integration: Tetrahedron-method Temperature: 0.0 10.0 20.0 30.0 40.0 ... 1000.0 Cutoff frequency: 0.01 Frequency conversion factor to THz: 15.63330 Length for sampling mesh generation: 50.00 Generating grid system ... [ 5 9 7 ] fc3-r2q-transformation over three atoms: True --------------------------- Phonon calculations ---------------------------- Use NAC by Gonze et al. (no real space sum in current implementation) PRB 50, 13035(R) (1994), PRB 55, 10355 (1997) G-cutoff distance: 0.56, Number of G-points: 283, Lambda: 0.09 Running harmonic phonon calculations... -------------------- Lattice thermal conductivity (RTA) -------------------- ======================= Grid point 0 (1/60) ======================= q-point: ( 0.00 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| -0.000 ( 0.000 0.000 0.000) 0.000 -0.000 ( 0.000 0.000 0.000) 0.000 0.000 ( 0.000 0.000 0.000) 0.000 1.623 ( 0.000 0.000 -0.000) 0.000 1.922 ( 0.000 0.000 -0.000) 0.000 2.245 ( 0.000 0.000 0.000) 0.000 2.326 ( 0.000 0.000 -0.000) 0.000 2.645 ( 0.000 0.000 0.000) 0.000 2.744 ( 0.000 0.000 0.000) 0.000 2.762 ( 0.000 0.000 0.000) 0.000 2.909 ( 0.000 0.000 0.000) 0.000 3.268 ( 0.000 0.000 0.000) 0.000 3.586 ( 0.000 0.000 -0.000) 0.000 3.984 ( 0.000 0.000 0.000) 0.000 4.089 ( 0.000 0.000 0.000) 0.000 4.101 ( 0.000 0.000 0.000) 0.000 4.264 ( 0.000 0.000 0.000) 0.000 4.725 ( 0.000 0.000 0.000) 0.000 5.078 ( 0.000 0.000 -0.000) 0.000 5.086 ( 0.000 0.000 0.000) 0.000 5.477 ( 0.000 0.000 0.000) 0.000 5.523 ( 0.000 0.000 0.000) 0.000 5.600 ( 0.000 0.000 0.000) 0.000 5.814 ( 0.000 0.000 0.000) 0.000 5.816 ( 0.000 0.000 -0.000) 0.000 5.856 ( 0.000 0.000 0.000) 0.000 5.862 ( 0.000 0.000 0.000) 0.000 6.023 ( 0.000 0.000 0.000) 0.000 6.446 ( 0.000 0.000 -0.000) 0.000 6.483 ( 0.000 0.000 -0.000) 0.000 6.787 ( 0.000 0.000 0.000) 0.000 6.893 ( 0.000 0.000 -0.000) 0.000 6.985 ( 0.000 0.000 -0.000) 0.000 7.015 ( 0.000 0.000 0.000) 0.000 7.345 ( 0.000 0.000 -0.000) 0.000 7.425 ( 0.000 0.000 0.000) 0.000 7.434 ( 0.000 0.000 0.000) 0.000 7.584 ( 0.000 0.000 0.000) 0.000 7.591 ( 0.000 0.000 0.000) 0.000 7.661 ( 0.000 0.000 0.000) 0.000 8.107 ( 0.000 0.000 0.000) 0.000 8.142 ( 0.000 0.000 0.000) 0.000 8.244 ( 0.000 0.000 0.000) 0.000 8.610 ( 0.000 0.000 0.000) 0.000 8.654 ( 0.000 0.000 0.000) 0.000 9.101 ( 0.000 0.000 0.000) 0.000 9.438 ( 0.000 0.000 -0.000) 0.000 9.787 ( 0.000 0.000 0.000) 0.000 10.096 ( 0.000 0.000 0.000) 0.000 10.156 ( 0.000 0.000 -0.000) 0.000 10.223 ( 0.000 0.000 -0.000) 0.000 10.632 ( 0.000 0.000 0.000) 0.000 11.000 ( 0.000 0.000 0.000) 0.000 11.059 ( 0.000 0.000 -0.000) 0.000 11.114 ( 0.000 0.000 0.000) 0.000 11.142 ( 0.000 0.000 0.000) 0.000 11.521 ( 0.000 0.000 0.000) 0.000 11.569 ( 0.000 0.000 0.000) 0.000 11.585 ( 0.000 0.000 0.000) 0.000 11.963 ( 0.000 0.000 0.000) 0.000 12.508 ( 0.000 0.000 0.000) 0.000 12.612 ( 0.000 0.000 0.000) 0.000 12.803 ( 0.000 0.000 0.000) 0.000 12.982 ( 0.000 0.000 0.000) 0.000 13.408 ( 0.000 0.000 0.000) 0.000 13.557 ( 0.000 0.000 0.000) 0.000 13.788 ( 0.000 0.000 -0.000) 0.000 14.016 ( 0.000 0.000 0.000) 0.000 15.385 ( 0.000 0.000 0.000) 0.000 15.679 ( 0.000 0.000 0.000) 0.000 15.950 ( 0.000 0.000 0.000) 0.000 16.214 ( 0.000 0.000 0.000) 0.000 16.274 ( 0.000 0.000 0.000) 0.000 16.498 ( 0.000 0.000 -0.000) 0.000 16.638 ( 0.000 0.000 0.000) 0.000 17.008 ( 0.000 0.000 -0.000) 0.000 17.246 ( 0.000 0.000 0.000) 0.000 17.317 ( 0.000 0.000 -0.000) 0.000 17.395 ( 0.000 0.000 0.000) 0.000 17.535 ( 0.000 0.000 0.000) 0.000 25.023 ( 0.000 0.000 0.000) 0.000 25.124 ( 0.000 0.000 0.000) 0.000 25.280 ( 0.000 0.000 0.000) 0.000 25.410 ( 0.000 0.000 0.000) 0.000 26.140 ( 0.000 0.000 0.000) 0.000 26.320 ( 0.000 0.000 -0.000) 0.000 26.442 ( 0.000 0.000 0.000) 0.000 26.633 ( 0.000 0.000 0.000) 0.000 26.640 ( 0.000 0.000 0.000) 0.000 26.646 ( 0.000 0.000 0.000) 0.000 26.675 ( 0.000 0.000 0.000) 0.000 26.800 ( 0.000 0.000 0.000) 0.000 26.844 ( 0.000 0.000 -0.000) 0.000 27.585 ( 0.000 0.000 -0.000) 0.000 28.044 ( 0.000 0.000 0.000) 0.000 29.260 ( 0.000 0.000 0.000) 0.000 ======================= Grid point 1 (2/60) ======================= q-point: ( 0.20 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.535 ( 28.688 0.000 0.000) 28.688 0.788 ( 42.866 0.000 0.000) 42.866 1.120 ( 53.687 0.000 0.000) 53.687 1.639 ( 3.718 0.000 0.000) 3.718 2.104 ( 16.939 0.000 0.000) 16.939 2.244 ( 0.581 0.000 0.000) 0.581 2.404 ( -3.817 0.000 0.000) 3.817 2.574 ( -8.320 0.000 0.000) 8.320 2.747 ( -2.129 0.000 0.000) 2.129 2.847 ( -4.501 0.000 0.000) 4.501 2.935 ( 15.126 0.000 0.000) 15.126 3.279 ( 2.733 0.000 0.000) 2.733 3.594 ( 0.002 0.000 0.000) 0.002 3.826 ( -10.498 0.000 0.000) 10.498 3.877 ( -11.954 0.000 0.000) 11.954 4.174 ( -2.447 0.000 0.000) 2.447 4.515 ( 20.265 0.000 0.000) 20.265 4.827 ( 6.093 0.000 0.000) 6.093 4.925 ( -8.756 0.000 0.000) 8.756 5.033 ( -4.823 0.000 0.000) 4.823 5.428 ( -18.069 0.000 0.000) 18.069 5.445 ( -8.802 0.000 0.000) 8.802 5.535 ( -6.458 0.000 0.000) 6.458 5.714 ( -12.927 0.000 0.000) 12.927 5.736 ( 0.092 0.000 0.000) 0.092 5.798 ( -2.863 0.000 0.000) 2.863 5.814 ( -1.576 0.000 0.000) 1.576 6.001 ( -2.394 0.000 0.000) 2.394 6.439 ( 1.168 0.000 0.000) 1.168 6.726 ( -1.443 0.000 0.000) 1.443 6.796 ( -6.829 0.000 0.000) 6.829 6.813 ( 0.712 0.000 0.000) 0.712 7.066 ( 7.160 0.000 0.000) 7.160 7.075 ( 5.379 0.000 0.000) 5.379 7.307 ( -4.199 0.000 0.000) 4.199 7.333 ( -1.678 0.000 0.000) 1.678 7.406 ( -2.164 0.000 0.000) 2.164 7.524 ( -5.674 0.000 0.000) 5.674 7.969 ( 14.855 0.000 0.000) 14.855 8.043 ( 5.474 0.000 0.000) 5.474 8.155 ( 9.797 0.000 0.000) 9.797 8.226 ( 7.314 0.000 0.000) 7.314 8.253 ( 0.673 0.000 0.000) 0.673 8.630 ( 2.326 0.000 0.000) 2.326 8.757 ( -4.371 0.000 0.000) 4.371 8.992 ( -8.765 0.000 0.000) 8.765 9.594 ( 12.341 0.000 0.000) 12.341 9.773 ( -1.285 0.000 0.000) 1.285 10.138 ( 4.010 0.000 0.000) 4.010 10.165 ( 0.669 0.000 0.000) 0.669 10.270 ( -7.338 0.000 0.000) 7.338 10.607 ( -3.213 0.000 0.000) 3.213 10.982 ( -1.845 0.000 0.000) 1.845 11.007 ( -5.413 0.000 0.000) 5.413 11.122 ( 1.504 0.000 0.000) 1.504 11.198 ( 3.686 0.000 0.000) 3.686 11.512 ( 0.141 0.000 0.000) 0.141 11.569 ( 0.185 0.000 0.000) 0.185 12.056 ( 8.564 0.000 0.000) 8.564 12.139 ( 2.785 0.000 0.000) 2.785 12.492 ( -1.819 0.000 0.000) 1.819 12.586 ( -3.514 0.000 0.000) 3.514 12.804 ( 1.164 0.000 0.000) 1.164 13.225 ( -8.858 0.000 0.000) 8.858 13.422 ( 1.583 0.000 0.000) 1.583 13.551 ( -1.037 0.000 0.000) 1.037 14.052 ( 3.786 0.000 0.000) 3.786 14.261 ( -1.139 0.000 0.000) 1.139 15.633 ( -3.742 0.000 0.000) 3.742 15.816 ( -11.040 0.000 0.000) 11.040 16.001 ( 4.516 0.000 0.000) 4.516 16.214 ( -2.267 0.000 0.000) 2.267 16.294 ( 5.117 0.000 0.000) 5.117 16.614 ( -2.697 0.000 0.000) 2.697 16.673 ( 11.622 0.000 0.000) 11.622 17.039 ( 3.397 0.000 0.000) 3.397 17.167 ( -7.124 0.000 0.000) 7.124 17.282 ( -2.368 0.000 0.000) 2.368 17.463 ( 4.682 0.000 0.000) 4.682 17.626 ( -1.332 0.000 0.000) 1.332 25.039 ( 1.639 0.000 0.000) 1.639 25.119 ( -0.532 0.000 0.000) 0.532 25.289 ( 0.706 0.000 0.000) 0.706 25.394 ( -1.757 0.000 0.000) 1.757 26.161 ( 2.155 0.000 0.000) 2.155 26.305 ( -1.635 0.000 0.000) 1.635 26.462 ( 2.124 0.000 0.000) 2.124 26.624 ( -1.247 0.000 0.000) 1.247 26.644 ( 0.389 0.000 0.000) 0.389 26.672 ( -0.353 0.000 0.000) 0.353 26.792 ( -0.642 0.000 0.000) 0.642 26.801 ( -0.426 0.000 0.000) 0.426 27.599 ( 1.607 0.000 0.000) 1.607 27.744 ( -1.948 0.000 0.000) 1.948 29.276 ( 1.732 0.000 0.000) 1.732 29.410 ( -1.638 0.000 0.000) 1.638 ======================= Grid point 2 (3/60) ======================= q-point: ( 0.40 0.00 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.026 ( 24.429 0.000 0.000) 24.429 1.378 ( -11.373 0.000 0.000) 11.373 1.545 ( 37.859 0.000 0.000) 37.859 2.115 ( 23.550 0.000 0.000) 23.550 2.139 ( -18.422 0.000 0.000) 18.422 2.270 ( -10.764 0.000 0.000) 10.764 2.417 ( 11.961 0.000 0.000) 11.961 2.495 ( 11.782 0.000 0.000) 11.782 2.730 ( 2.735 0.000 0.000) 2.735 2.772 ( -1.897 0.000 0.000) 1.897 3.232 ( 13.892 0.000 0.000) 13.892 3.353 ( 1.888 0.000 0.000) 1.888 3.455 ( -9.770 0.000 0.000) 9.770 3.594 ( -21.050 0.000 0.000) 21.050 3.835 ( 9.367 0.000 0.000) 9.367 4.026 ( -10.581 0.000 0.000) 10.581 4.785 ( 1.013 0.000 0.000) 1.013 4.885 ( 16.875 0.000 0.000) 16.875 4.938 ( -7.593 0.000 0.000) 7.593 5.011 ( 7.100 0.000 0.000) 7.100 5.109 ( -7.342 0.000 0.000) 7.342 5.227 ( -10.819 0.000 0.000) 10.819 5.305 ( -12.087 0.000 0.000) 12.087 5.420 ( -17.256 0.000 0.000) 17.256 5.745 ( 1.838 0.000 0.000) 1.838 5.787 ( -1.893 0.000 0.000) 1.893 5.877 ( 5.786 0.000 0.000) 5.786 5.954 ( -3.024 0.000 0.000) 3.024 6.535 ( 8.796 0.000 0.000) 8.796 6.680 ( -4.627 0.000 0.000) 4.627 6.723 ( -1.016 0.000 0.000) 1.016 6.762 ( -5.137 0.000 0.000) 5.137 7.162 ( 3.136 0.000 0.000) 3.136 7.173 ( 2.697 0.000 0.000) 2.697 7.291 ( 2.574 0.000 0.000) 2.574 7.324 ( 2.304 0.000 0.000) 2.304 7.360 ( -3.418 0.000 0.000) 3.418 7.410 ( -6.126 0.000 0.000) 6.126 8.106 ( 4.180 0.000 0.000) 4.180 8.129 ( 2.247 0.000 0.000) 2.247 8.250 ( 1.507 0.000 0.000) 1.507 8.260 ( 0.041 0.000 0.000) 0.041 8.497 ( 14.662 0.000 0.000) 14.662 8.666 ( -5.659 0.000 0.000) 5.659 8.699 ( 5.427 0.000 0.000) 5.427 8.831 ( -8.534 0.000 0.000) 8.534 9.762 ( 0.652 0.000 0.000) 0.652 9.763 ( 3.611 0.000 0.000) 3.611 10.138 ( -1.002 0.000 0.000) 1.002 10.161 ( -1.461 0.000 0.000) 1.461 10.295 ( 9.258 0.000 0.000) 9.258 10.488 ( -9.946 0.000 0.000) 9.946 10.929 ( -1.600 0.000 0.000) 1.600 10.942 ( -2.130 0.000 0.000) 2.130 11.167 ( 3.113 0.000 0.000) 3.113 11.217 ( -1.602 0.000 0.000) 1.602 11.537 ( 2.173 0.000 0.000) 2.173 11.569 ( -0.795 0.000 0.000) 0.795 12.212 ( 6.843 0.000 0.000) 6.843 12.222 ( 5.132 0.000 0.000) 5.132 12.444 ( -2.634 0.000 0.000) 2.634 12.482 ( -6.579 0.000 0.000) 6.579 12.875 ( 6.714 0.000 0.000) 6.714 13.037 ( -10.515 0.000 0.000) 10.515 13.463 ( 2.782 0.000 0.000) 2.782 13.515 ( -2.683 0.000 0.000) 2.683 14.138 ( 5.132 0.000 0.000) 5.132 14.220 ( -3.494 0.000 0.000) 3.494 15.587 ( -0.414 0.000 0.000) 0.414 15.642 ( -6.715 0.000 0.000) 6.715 16.087 ( 4.497 0.000 0.000) 4.497 16.160 ( -3.521 0.000 0.000) 3.521 16.416 ( 7.334 0.000 0.000) 7.334 16.538 ( -5.635 0.000 0.000) 5.635 16.869 ( 9.464 0.000 0.000) 9.464 17.026 ( -8.111 0.000 0.000) 8.111 17.126 ( 5.634 0.000 0.000) 5.634 17.222 ( -4.452 0.000 0.000) 4.452 17.538 ( 3.500 0.000 0.000) 3.500 17.592 ( -2.427 0.000 0.000) 2.427 25.074 ( 1.944 0.000 0.000) 1.944 25.103 ( -1.225 0.000 0.000) 1.225 25.311 ( 1.821 0.000 0.000) 1.821 25.353 ( -2.506 0.000 0.000) 2.506 26.211 ( 3.036 0.000 0.000) 3.036 26.264 ( -2.705 0.000 0.000) 2.705 26.516 ( 3.630 0.000 0.000) 3.630 26.582 ( -3.262 0.000 0.000) 3.262 26.653 ( 0.596 0.000 0.000) 0.596 26.664 ( -0.551 0.000 0.000) 0.551 26.785 ( 0.008 0.000 0.000) 0.008 26.791 ( -0.534 0.000 0.000) 0.534 27.641 ( 2.837 0.000 0.000) 2.837 27.696 ( -3.038 0.000 0.000) 3.038 29.318 ( 2.749 0.000 0.000) 2.749 29.370 ( -2.691 0.000 0.000) 2.691 ======================= Grid point 5 (4/60) ======================= q-point: ( 0.00 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.498 ( 0.000 23.315 0.000) 23.315 0.930 ( 0.000 43.039 0.000) 43.039 1.248 ( 0.000 58.933 0.000) 58.933 1.767 ( 0.000 12.599 0.000) 12.599 2.120 ( 0.000 15.006 0.000) 15.006 2.131 ( 0.000 2.573 0.000) 2.573 2.379 ( 0.000 -13.813 0.000) 13.813 2.682 ( 0.000 19.428 0.000) 19.428 2.805 ( 0.000 4.526 0.000) 4.526 3.188 ( 0.000 10.912 0.000) 10.912 3.309 ( 0.000 2.927 0.000) 2.927 3.480 ( 0.000 -22.731 0.000) 22.731 3.558 ( 0.000 0.453 0.000) 0.453 4.012 ( 0.000 5.734 0.000) 5.734 4.127 ( 0.000 -9.896 0.000) 9.896 4.185 ( 0.000 5.661 0.000) 5.661 4.600 ( 0.000 17.464 0.000) 17.464 4.810 ( 0.000 5.136 0.000) 5.136 4.922 ( 0.000 -14.458 0.000) 14.458 5.075 ( 0.000 -1.229 0.000) 1.229 5.276 ( 0.000 -15.003 0.000) 15.003 5.398 ( 0.000 -5.537 0.000) 5.537 5.611 ( 0.000 0.117 0.000) 0.117 5.642 ( 0.000 -6.786 0.000) 6.786 5.862 ( 0.000 0.271 0.000) 0.271 5.878 ( 0.000 -2.652 0.000) 2.652 5.935 ( 0.000 -10.193 0.000) 10.193 6.037 ( 0.000 -5.604 0.000) 5.604 6.454 ( 0.000 7.669 0.000) 7.669 6.593 ( 0.000 3.201 0.000) 3.201 6.705 ( 0.000 -8.025 0.000) 8.025 6.930 ( 0.000 -6.583 0.000) 6.583 7.052 ( 0.000 7.166 0.000) 7.166 7.217 ( 0.000 -6.127 0.000) 6.127 7.332 ( 0.000 -1.309 0.000) 1.309 7.353 ( 0.000 -4.407 0.000) 4.407 7.463 ( 0.000 0.266 0.000) 0.266 7.555 ( 0.000 -1.366 0.000) 1.366 7.651 ( 0.000 3.758 0.000) 3.758 7.658 ( 0.000 -0.601 0.000) 0.601 8.058 ( 0.000 -3.662 0.000) 3.662 8.166 ( 0.000 -1.050 0.000) 1.050 8.233 ( 0.000 -1.161 0.000) 1.161 8.561 ( 0.000 -3.899 0.000) 3.899 8.718 ( 0.000 4.276 0.000) 4.276 9.139 ( 0.000 0.927 0.000) 0.927 9.459 ( 0.000 0.900 0.000) 0.900 9.648 ( 0.000 -9.953 0.000) 9.953 10.134 ( 0.000 -2.273 0.000) 2.273 10.228 ( 0.000 0.830 0.000) 0.830 10.245 ( 0.000 2.917 0.000) 2.917 10.599 ( 0.000 -4.399 0.000) 4.399 10.916 ( 0.000 -9.619 0.000) 9.619 10.982 ( 0.000 -2.473 0.000) 2.473 11.045 ( 0.000 1.559 0.000) 1.559 11.359 ( 0.000 -0.173 0.000) 0.173 11.500 ( 0.000 -6.805 0.000) 6.805 11.720 ( 0.000 7.283 0.000) 7.283 11.957 ( 0.000 -0.201 0.000) 0.201 12.188 ( 0.000 14.355 0.000) 14.355 12.465 ( 0.000 -3.837 0.000) 3.837 12.670 ( 0.000 4.141 0.000) 4.141 12.963 ( 0.000 1.328 0.000) 1.328 13.080 ( 0.000 6.915 0.000) 6.915 13.491 ( 0.000 -5.464 0.000) 5.464 13.672 ( 0.000 -7.935 0.000) 7.935 14.078 ( 0.000 3.350 0.000) 3.350 14.169 ( 0.000 12.095 0.000) 12.095 15.373 ( 0.000 -0.012 0.000) 0.012 15.632 ( 0.000 -3.459 0.000) 3.459 16.038 ( 0.000 -7.335 0.000) 7.335 16.312 ( 0.000 3.429 0.000) 3.429 16.378 ( 0.000 7.892 0.000) 7.892 16.505 ( 0.000 0.482 0.000) 0.482 16.707 ( 0.000 0.141 0.000) 0.141 17.069 ( 0.000 4.632 0.000) 4.632 17.260 ( 0.000 -6.850 0.000) 6.850 17.324 ( 0.000 3.176 0.000) 3.176 17.474 ( 0.000 -0.583 0.000) 0.583 17.584 ( 0.000 2.419 0.000) 2.419 25.044 ( 0.000 1.971 0.000) 1.971 25.166 ( 0.000 1.458 0.000) 1.458 25.283 ( 0.000 0.137 0.000) 0.137 25.414 ( 0.000 0.369 0.000) 0.369 26.172 ( 0.000 2.798 0.000) 2.798 26.459 ( 0.000 1.679 0.000) 1.679 26.526 ( 0.000 1.342 0.000) 1.342 26.609 ( 0.000 -1.927 0.000) 1.927 26.654 ( 0.000 0.797 0.000) 0.797 26.669 ( 0.000 2.662 0.000) 2.662 26.805 ( 0.000 2.257 0.000) 2.257 26.940 ( 0.000 5.299 0.000) 5.299 27.639 ( 0.000 5.730 0.000) 5.730 28.024 ( 0.000 -1.718 0.000) 1.718 28.867 ( 0.000 -3.558 0.000) 3.558 29.230 ( 0.000 -7.159 0.000) 7.159 ======================= Grid point 6 (5/60) ======================= q-point: ( 0.20 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.942 ( 25.516 22.101 0.000) 33.757 1.201 ( 26.163 31.401 0.000) 40.872 1.530 ( 25.079 35.829 0.000) 43.734 1.777 ( 7.123 13.378 0.000) 15.156 2.208 ( 10.610 6.216 0.000) 12.297 2.266 ( 11.958 11.986 0.000) 16.931 2.436 ( 3.358 -6.966 0.000) 7.733 2.637 ( -4.176 17.077 0.000) 17.580 2.820 ( -0.124 4.091 0.000) 4.093 3.089 ( -9.349 15.974 0.000) 18.508 3.368 ( -0.175 2.689 0.000) 2.695 3.380 ( -2.232 -0.292 0.000) 2.251 3.582 ( 1.796 1.491 0.000) 2.334 3.857 ( -16.171 6.627 0.000) 17.476 3.962 ( -6.718 0.849 0.000) 6.772 4.051 ( -9.055 3.738 0.000) 9.796 4.468 ( -8.245 -3.489 0.000) 8.953 4.894 ( 4.040 5.729 0.000) 7.010 4.921 ( -2.199 -7.423 0.000) 7.742 5.012 ( -0.053 -0.530 0.000) 0.532 5.203 ( -7.610 -12.186 0.000) 14.367 5.378 ( -15.440 -6.589 0.000) 16.787 5.434 ( -4.976 -9.057 0.000) 10.334 5.663 ( 0.624 -0.490 0.000) 0.793 5.730 ( -8.230 -1.977 0.000) 8.464 5.812 ( -6.652 -0.023 0.000) 6.652 5.837 ( -2.468 -0.616 0.000) 2.544 5.970 ( -6.884 -5.026 0.000) 8.524 6.503 ( 1.703 3.979 0.000) 4.328 6.647 ( 1.098 -3.592 0.000) 3.756 6.754 ( 4.828 -3.682 0.000) 6.071 6.905 ( -10.867 -2.016 0.000) 11.052 7.027 ( 4.050 -2.475 0.000) 4.746 7.133 ( 1.047 5.579 0.000) 5.677 7.289 ( -2.222 -1.897 0.000) 2.922 7.325 ( -1.726 -0.979 0.000) 1.984 7.377 ( -1.263 -0.824 0.000) 1.508 7.544 ( -5.061 1.502 0.000) 5.279 7.784 ( 13.384 -7.961 0.000) 15.573 8.007 ( 11.833 -3.712 0.000) 12.402 8.124 ( 9.400 -2.871 0.000) 9.829 8.190 ( 4.635 -3.685 0.000) 5.922 8.235 ( 0.860 -0.804 0.000) 1.177 8.587 ( 3.445 -2.977 0.000) 4.553 8.754 ( -0.205 1.004 0.000) 1.024 9.023 ( -8.862 1.697 0.000) 9.023 9.541 ( 6.403 -4.841 0.000) 8.027 9.719 ( 6.756 -3.207 0.000) 7.479 10.082 ( -3.135 -3.860 0.000) 4.973 10.205 ( -3.991 -0.742 0.000) 4.059 10.281 ( 2.786 2.891 0.000) 4.015 10.595 ( -0.733 -2.876 0.000) 2.968 10.891 ( -1.962 -4.637 0.000) 5.035 10.984 ( -0.742 -1.411 0.000) 1.594 11.047 ( 1.655 -1.221 0.000) 2.057 11.357 ( -3.000 3.217 0.000) 4.399 11.400 ( -2.957 -4.498 0.000) 5.383 11.644 ( -5.423 3.377 0.000) 6.388 12.004 ( 7.514 -1.008 0.000) 7.581 12.340 ( 7.565 13.701 0.000) 15.651 12.444 ( -1.334 -3.652 0.000) 3.888 12.675 ( -0.026 5.545 0.000) 5.545 12.939 ( -1.354 6.205 0.000) 6.351 13.137 ( 1.389 -0.734 0.000) 1.571 13.430 ( -4.581 -3.188 0.000) 5.581 13.575 ( -5.444 -1.128 0.000) 5.559 14.160 ( 4.885 7.612 0.000) 9.045 14.275 ( 6.237 4.312 0.000) 7.583 15.434 ( 2.445 -9.134 0.000) 9.455 15.678 ( 1.398 -6.461 0.000) 6.611 16.020 ( -1.225 -3.061 0.000) 3.297 16.253 ( -0.371 0.762 0.000) 0.848 16.303 ( -5.624 7.764 0.000) 9.586 16.571 ( 1.448 -1.433 0.000) 2.037 16.708 ( 4.569 1.793 0.000) 4.909 17.087 ( 2.122 3.941 0.000) 4.476 17.221 ( -7.548 -5.800 0.000) 9.519 17.279 ( -5.145 4.508 0.000) 6.840 17.440 ( 4.943 0.608 0.000) 4.980 17.632 ( 0.653 0.663 0.000) 0.931 25.059 ( 1.453 1.811 0.000) 2.322 25.145 ( -1.519 1.861 0.000) 2.403 25.289 ( 0.708 0.108 0.000) 0.716 25.397 ( -1.815 0.335 0.000) 1.845 26.198 ( 2.669 3.157 0.000) 4.134 26.422 ( -4.961 4.951 0.000) 7.009 26.473 ( 0.203 1.270 0.000) 1.286 26.607 ( -1.621 -0.637 0.000) 1.741 26.673 ( 1.038 2.600 0.000) 2.799 26.713 ( 2.701 1.745 0.000) 3.215 26.788 ( -0.414 2.517 0.000) 2.551 26.922 ( -1.791 5.766 0.000) 6.038 27.652 ( 1.465 5.492 0.000) 5.684 27.872 ( -8.411 6.532 0.000) 10.650 29.064 ( 10.369 -14.853 0.000) 18.114 29.237 ( 0.399 -8.851 0.000) 8.860 ======================= Grid point 7 (6/60) ======================= q-point: ( 0.40 0.11 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.293 ( 15.843 22.738 0.000) 27.713 1.537 ( -10.164 15.030 0.000) 18.144 1.757 ( 31.364 19.233 0.000) 36.791 2.269 ( -20.747 8.242 0.000) 22.324 2.338 ( 24.764 10.667 0.000) 26.964 2.420 ( 10.155 21.234 0.000) 23.538 2.504 ( 10.387 2.312 0.000) 10.641 2.600 ( -0.733 11.661 0.000) 11.684 2.826 ( 4.054 9.996 0.000) 10.787 2.926 ( -2.023 17.156 0.000) 17.275 3.379 ( 4.687 6.146 0.000) 7.729 3.430 ( -4.688 -0.129 0.000) 4.690 3.566 ( -5.300 11.021 0.000) 12.229 3.640 ( -8.712 2.916 0.000) 9.187 3.801 ( -0.224 2.559 0.000) 2.569 3.947 ( -8.435 -5.176 0.000) 9.896 4.457 ( 10.806 -17.608 0.000) 20.659 4.756 ( -14.086 -17.933 0.000) 22.803 4.844 ( -5.147 -1.103 0.000) 5.264 4.934 ( -12.330 -1.208 0.000) 12.389 5.110 ( 0.798 -6.032 0.000) 6.085 5.153 ( -5.796 -8.311 0.000) 10.132 5.438 ( 7.122 6.350 0.000) 9.542 5.618 ( -3.162 3.341 0.000) 4.600 5.651 ( -5.371 -3.162 0.000) 6.233 5.723 ( -3.601 1.220 0.000) 3.802 5.823 ( 2.706 -3.114 0.000) 4.126 5.879 ( -3.078 -5.931 0.000) 6.682 6.540 ( 4.223 -3.226 0.000) 5.314 6.667 ( -7.613 -3.613 0.000) 8.426 6.727 ( 3.169 0.941 0.000) 3.306 6.800 ( -2.072 1.967 0.000) 2.857 7.114 ( 3.253 -3.667 0.000) 4.902 7.144 ( -0.627 -1.915 0.000) 2.015 7.308 ( 2.093 1.377 0.000) 2.505 7.326 ( 2.803 -0.115 0.000) 2.805 7.354 ( -0.888 0.739 0.000) 1.155 7.436 ( -6.208 1.677 0.000) 6.431 7.983 ( 7.958 -7.600 0.000) 11.004 8.061 ( -0.974 -6.178 0.000) 6.255 8.175 ( 1.226 -5.753 0.000) 5.882 8.214 ( -2.152 -4.484 0.000) 4.973 8.477 ( 14.500 -1.355 0.000) 14.563 8.673 ( -7.576 -0.237 0.000) 7.580 8.705 ( 8.844 0.687 0.000) 8.871 8.870 ( -8.347 2.115 0.000) 8.611 9.670 ( 7.651 -4.645 0.000) 8.950 9.784 ( -2.446 -0.844 0.000) 2.587 10.054 ( 0.911 -7.547 0.000) 7.602 10.107 ( -4.566 -3.441 0.000) 5.718 10.384 ( 8.129 4.868 0.000) 9.475 10.535 ( -6.716 2.112 0.000) 7.040 10.877 ( 1.415 -1.352 0.000) 1.957 10.934 ( -3.871 0.011 0.000) 3.871 11.124 ( 5.762 -3.040 0.000) 6.515 11.240 ( -6.773 -0.436 0.000) 6.787 11.454 ( 5.077 -3.338 0.000) 6.076 11.550 ( -5.170 -1.198 0.000) 5.307 12.171 ( 9.702 -1.495 0.000) 9.816 12.326 ( -6.561 -0.489 0.000) 6.579 12.519 ( 7.197 11.716 0.000) 13.750 12.635 ( -4.788 10.240 0.000) 11.304 12.957 ( 4.106 4.992 0.000) 6.464 13.071 ( -7.029 1.780 0.000) 7.251 13.413 ( 2.587 -3.382 0.000) 4.257 13.486 ( -4.722 -2.552 0.000) 5.368 14.254 ( 4.892 9.684 0.000) 10.849 14.315 ( -1.195 8.239 0.000) 8.325 15.469 ( 3.078 -8.143 0.000) 8.705 15.577 ( -8.471 -5.858 0.000) 10.300 16.079 ( 5.934 -0.327 0.000) 5.943 16.189 ( -5.937 2.311 0.000) 6.371 16.361 ( 8.923 -2.762 0.000) 9.340 16.513 ( -6.501 -2.005 0.000) 6.803 16.857 ( 9.456 -0.042 0.000) 9.456 17.034 ( -10.171 -0.941 0.000) 10.215 17.146 ( 3.867 1.684 0.000) 4.218 17.216 ( -3.509 0.803 0.000) 3.600 17.538 ( 4.873 0.712 0.000) 4.924 17.609 ( -2.803 1.150 0.000) 3.029 25.090 ( 1.797 1.514 0.000) 2.350 25.119 ( -1.400 1.499 0.000) 2.051 25.312 ( 1.882 0.150 0.000) 1.888 25.354 ( -2.597 0.254 0.000) 2.609 26.261 ( 4.025 4.119 0.000) 5.759 26.338 ( -4.334 5.290 0.000) 6.839 26.503 ( 2.721 -0.281 0.000) 2.735 26.560 ( -3.194 -0.657 0.000) 3.261 26.695 ( 1.303 3.235 0.000) 3.488 26.719 ( -1.113 3.700 0.000) 3.863 26.821 ( 3.168 3.303 0.000) 4.576 26.878 ( -2.879 5.196 0.000) 5.940 27.693 ( 3.006 5.148 0.000) 5.961 27.761 ( -4.581 5.546 0.000) 7.193 29.181 ( 3.869 -12.208 0.000) 12.806 29.229 ( -1.498 -10.691 0.000) 10.795 ======================= Grid point 10 (7/60) ======================= q-point: ( 0.00 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.003 ( 0.000 25.411 0.000) 25.411 1.768 ( 0.000 35.275 0.000) 35.275 2.071 ( 0.000 16.723 0.000) 16.723 2.137 ( 0.000 -9.765 0.000) 9.765 2.360 ( 0.000 15.487 0.000) 15.487 2.391 ( 0.000 18.363 0.000) 18.363 2.460 ( 0.000 41.473 0.000) 41.473 2.929 ( 0.000 -0.093 0.000) 0.093 2.995 ( 0.000 -8.491 0.000) 8.491 3.021 ( 0.000 5.096 0.000) 5.096 3.171 ( 0.000 3.217 0.000) 3.217 3.585 ( 0.000 2.457 0.000) 2.457 3.684 ( 0.000 20.515 0.000) 20.515 3.863 ( 0.000 -13.193 0.000) 13.193 4.158 ( 0.000 3.391 0.000) 3.391 4.348 ( 0.000 12.604 0.000) 12.604 4.564 ( 0.000 -15.422 0.000) 15.422 4.759 ( 0.000 -8.234 0.000) 8.234 4.891 ( 0.000 -18.517 0.000) 18.517 4.917 ( 0.000 11.580 0.000) 11.580 5.118 ( 0.000 -0.431 0.000) 0.431 5.301 ( 0.000 -5.953 0.000) 5.953 5.504 ( 0.000 -6.435 0.000) 6.435 5.576 ( 0.000 -6.869 0.000) 6.869 5.642 ( 0.000 -16.293 0.000) 16.293 5.758 ( 0.000 -1.996 0.000) 1.996 5.919 ( 0.000 6.449 0.000) 6.449 5.970 ( 0.000 -1.890 0.000) 1.890 6.518 ( 0.000 -6.766 0.000) 6.766 6.547 ( 0.000 0.499 0.000) 0.499 6.668 ( 0.000 5.183 0.000) 5.183 6.792 ( 0.000 -6.233 0.000) 6.233 7.058 ( 0.000 -8.552 0.000) 8.552 7.230 ( 0.000 2.752 0.000) 2.752 7.292 ( 0.000 -1.140 0.000) 1.140 7.323 ( 0.000 5.673 0.000) 5.673 7.477 ( 0.000 1.418 0.000) 1.418 7.516 ( 0.000 -2.425 0.000) 2.425 7.645 ( 0.000 -0.685 0.000) 0.685 7.720 ( 0.000 1.836 0.000) 1.836 7.998 ( 0.000 -1.356 0.000) 1.356 8.085 ( 0.000 -6.774 0.000) 6.774 8.195 ( 0.000 -1.935 0.000) 1.935 8.462 ( 0.000 -5.343 0.000) 5.343 8.766 ( 0.000 -0.874 0.000) 0.874 9.016 ( 0.000 -12.272 0.000) 12.272 9.432 ( 0.000 -3.596 0.000) 3.596 9.571 ( 0.000 1.617 0.000) 1.617 10.000 ( 0.000 -9.738 0.000) 9.738 10.215 ( 0.000 -5.584 0.000) 5.584 10.276 ( 0.000 1.713 0.000) 1.713 10.473 ( 0.000 -3.588 0.000) 3.588 10.853 ( 0.000 1.555 0.000) 1.555 10.975 ( 0.000 2.836 0.000) 2.836 11.119 ( 0.000 4.592 0.000) 4.592 11.328 ( 0.000 -2.165 0.000) 2.165 11.351 ( 0.000 -6.747 0.000) 6.747 11.815 ( 0.000 2.025 0.000) 2.025 11.967 ( 0.000 1.315 0.000) 1.315 12.337 ( 0.000 -4.906 0.000) 4.906 12.484 ( 0.000 8.389 0.000) 8.389 12.725 ( 0.000 0.480 0.000) 0.480 13.007 ( 0.000 1.107 0.000) 1.107 13.136 ( 0.000 -3.908 0.000) 3.908 13.397 ( 0.000 -0.956 0.000) 0.956 13.561 ( 0.000 -0.631 0.000) 0.631 14.171 ( 0.000 5.459 0.000) 5.459 14.452 ( 0.000 12.694 0.000) 12.694 15.422 ( 0.000 4.530 0.000) 4.530 15.616 ( 0.000 4.479 0.000) 4.479 15.918 ( 0.000 -4.062 0.000) 4.062 16.373 ( 0.000 2.001 0.000) 2.001 16.508 ( 0.000 -0.348 0.000) 0.348 16.542 ( 0.000 6.597 0.000) 6.597 16.759 ( 0.000 6.002 0.000) 6.002 17.083 ( 0.000 -7.613 0.000) 7.613 17.153 ( 0.000 2.675 0.000) 2.675 17.416 ( 0.000 3.250 0.000) 3.250 17.449 ( 0.000 -2.041 0.000) 2.041 17.607 ( 0.000 -0.374 0.000) 0.374 25.097 ( 0.000 2.837 0.000) 2.837 25.212 ( 0.000 2.950 0.000) 2.950 25.282 ( 0.000 -0.319 0.000) 0.319 25.425 ( 0.000 0.561 0.000) 0.561 26.242 ( 0.000 3.541 0.000) 3.541 26.512 ( 0.000 3.326 0.000) 3.326 26.562 ( 0.000 -2.520 0.000) 2.520 26.571 ( 0.000 2.977 0.000) 2.977 26.683 ( 0.000 1.986 0.000) 1.986 26.741 ( 0.000 3.793 0.000) 3.793 26.874 ( 0.000 3.454 0.000) 3.454 26.995 ( 0.000 -0.371 0.000) 0.371 27.836 ( 0.000 12.249 0.000) 12.249 27.994 ( 0.000 -0.176 0.000) 0.176 28.750 ( 0.000 -7.739 0.000) 7.739 29.044 ( 0.000 -9.600 0.000) 9.600 ======================= Grid point 11 (8/60) ======================= q-point: ( 0.20 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.356 ( 29.772 19.305 0.000) 35.483 1.874 ( 10.654 29.502 0.000) 31.367 2.052 ( -0.981 13.272 0.000) 13.308 2.256 ( 10.132 1.214 0.000) 10.204 2.337 ( 5.001 22.051 0.000) 22.611 2.536 ( 8.244 12.304 0.000) 14.811 2.623 ( 14.925 25.747 0.000) 29.760 2.939 ( -3.059 1.403 0.000) 3.365 3.031 ( 5.570 14.399 0.000) 15.439 3.106 ( 11.660 -5.319 0.000) 12.816 3.213 ( 4.666 -1.129 0.000) 4.801 3.546 ( -7.559 8.410 0.000) 11.308 3.645 ( -1.427 11.925 0.000) 12.010 3.828 ( -2.751 -8.469 0.000) 8.904 4.073 ( -9.290 6.678 0.000) 11.441 4.198 ( -11.383 9.343 0.000) 14.727 4.481 ( -7.870 -0.173 0.000) 7.872 4.689 ( -12.967 -6.466 0.000) 14.489 4.830 ( -0.627 -17.500 0.000) 17.511 4.955 ( 5.115 -2.678 0.000) 5.773 5.053 ( -14.771 -5.201 0.000) 15.660 5.260 ( -19.699 -7.949 0.000) 21.242 5.276 ( 4.004 0.879 0.000) 4.100 5.619 ( 2.337 -8.817 0.000) 9.122 5.655 ( -8.443 -0.294 0.000) 8.448 5.741 ( 3.208 -6.973 0.000) 7.676 5.836 ( -4.300 -2.743 0.000) 5.100 5.933 ( -4.004 7.698 0.000) 8.677 6.446 ( -6.504 -6.517 0.000) 9.207 6.575 ( 4.402 -1.965 0.000) 4.820 6.665 ( -0.929 -5.339 0.000) 5.419 6.885 ( -9.752 -2.274 0.000) 10.013 6.937 ( 8.849 -2.979 0.000) 9.337 7.203 ( -6.557 -2.730 0.000) 7.103 7.245 ( 0.441 0.057 0.000) 0.445 7.326 ( 2.803 2.051 0.000) 3.474 7.378 ( -2.217 0.926 0.000) 2.403 7.608 ( -3.268 4.891 0.000) 5.883 7.702 ( 8.209 -2.123 0.000) 8.479 7.914 ( 5.225 -5.021 0.000) 7.247 8.067 ( -1.871 -7.296 0.000) 7.532 8.091 ( 13.667 -0.571 0.000) 13.679 8.205 ( 3.185 -1.272 0.000) 3.430 8.512 ( 6.070 -4.200 0.000) 7.381 8.752 ( -2.484 -2.859 0.000) 3.787 8.986 ( -3.862 -6.294 0.000) 7.385 9.437 ( 3.865 -3.706 0.000) 5.355 9.665 ( 7.236 -2.462 0.000) 7.643 9.943 ( -5.756 -8.954 0.000) 10.645 10.147 ( -7.053 -6.615 0.000) 9.669 10.323 ( 5.155 2.052 0.000) 5.548 10.507 ( 2.940 -2.827 0.000) 4.079 10.886 ( 3.195 1.885 0.000) 3.710 10.966 ( -0.827 2.148 0.000) 2.301 11.100 ( -1.993 4.441 0.000) 4.867 11.283 ( -4.464 -6.272 0.000) 7.699 11.366 ( 2.334 -0.157 0.000) 2.339 11.739 ( -7.910 4.716 0.000) 9.209 11.996 ( 5.461 -0.123 0.000) 5.463 12.340 ( -1.821 -5.147 0.000) 5.460 12.575 ( 7.933 5.038 0.000) 9.398 12.745 ( 1.799 0.822 0.000) 1.978 12.970 ( -1.546 -1.032 0.000) 1.859 13.146 ( -1.491 -4.486 0.000) 4.728 13.386 ( -0.331 1.891 0.000) 1.920 13.576 ( -0.312 4.737 0.000) 4.748 14.229 ( 7.120 0.981 0.000) 7.187 14.495 ( 3.280 11.605 0.000) 12.059 15.390 ( -2.505 3.874 0.000) 4.613 15.588 ( -3.618 -0.166 0.000) 3.622 15.962 ( 4.710 -1.347 0.000) 4.898 16.281 ( -5.717 1.210 0.000) 5.844 16.489 ( -3.418 5.977 0.000) 6.885 16.566 ( -2.288 4.306 0.000) 4.876 16.758 ( 4.408 2.928 0.000) 5.291 17.063 ( -2.829 -5.636 0.000) 6.307 17.173 ( 1.356 2.094 0.000) 2.494 17.338 ( -6.850 0.744 0.000) 6.890 17.474 ( 4.048 1.471 0.000) 4.306 17.634 ( 0.924 -1.010 0.000) 1.368 25.108 ( 1.086 2.675 0.000) 2.887 25.195 ( -1.587 2.986 0.000) 3.381 25.289 ( 0.913 -0.134 0.000) 0.923 25.407 ( -1.860 0.545 0.000) 1.938 26.275 ( 3.411 3.836 0.000) 5.133 26.493 ( -0.649 2.568 0.000) 2.649 26.522 ( -2.762 3.156 0.000) 4.195 26.608 ( -0.189 0.665 0.000) 0.692 26.720 ( 4.360 0.740 0.000) 4.422 26.753 ( 1.262 3.346 0.000) 3.576 26.862 ( -0.994 3.586 0.000) 3.721 26.983 ( -1.391 -0.112 0.000) 1.396 27.838 ( 0.281 11.431 0.000) 11.435 27.955 ( -3.484 2.695 0.000) 4.405 28.808 ( 5.252 -10.595 0.000) 11.826 29.028 ( -1.745 -10.374 0.000) 10.520 ======================= Grid point 12 (9/60) ======================= q-point: ( 0.40 0.22 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.798 ( 15.386 21.988 0.000) 26.837 1.961 ( -4.319 22.615 0.000) 23.024 2.181 ( 16.369 14.834 0.000) 22.090 2.393 ( -1.572 3.312 0.000) 3.666 2.552 ( 15.390 8.937 0.000) 17.797 2.659 ( 9.784 15.736 0.000) 18.529 2.799 ( -9.166 5.389 0.000) 10.633 2.831 ( -0.448 14.883 0.000) 14.889 3.196 ( 9.262 6.177 0.000) 11.133 3.301 ( -0.943 -6.900 0.000) 6.964 3.369 ( 11.873 15.285 0.000) 19.355 3.406 ( 2.035 15.924 0.000) 16.053 3.632 ( 0.063 3.857 0.000) 3.858 3.740 ( -9.182 -0.951 0.000) 9.231 3.922 ( -1.288 11.265 0.000) 11.338 4.028 ( -7.881 6.582 0.000) 10.268 4.360 ( -1.028 9.883 0.000) 9.936 4.488 ( -10.920 -4.689 0.000) 11.885 4.746 ( -4.599 -13.468 0.000) 14.231 4.817 ( -10.296 -11.609 0.000) 15.517 4.946 ( -7.146 -6.570 0.000) 9.707 4.983 ( -7.179 -2.505 0.000) 7.603 5.283 ( 5.262 -8.715 0.000) 10.181 5.457 ( -10.538 -10.076 0.000) 14.580 5.721 ( 3.584 -3.966 0.000) 5.346 5.777 ( -1.395 -2.420 0.000) 2.793 5.814 ( 5.365 2.380 0.000) 5.869 5.900 ( -1.453 8.517 0.000) 8.640 6.385 ( 1.946 -7.910 0.000) 8.146 6.521 ( -10.634 -6.949 0.000) 12.703 6.701 ( 6.233 -3.986 0.000) 7.399 6.785 ( -2.683 -5.025 0.000) 5.696 7.063 ( 3.357 -0.692 0.000) 3.427 7.110 ( -3.319 -1.754 0.000) 3.754 7.295 ( 3.931 -2.580 0.000) 4.702 7.345 ( -1.772 -0.517 0.000) 1.846 7.386 ( 4.510 3.397 0.000) 5.646 7.502 ( -7.203 4.825 0.000) 8.669 7.839 ( 6.337 -6.280 0.000) 8.922 7.930 ( -2.650 -6.737 0.000) 7.239 8.051 ( 2.187 -4.910 0.000) 5.375 8.120 ( -3.703 -2.553 0.000) 4.498 8.453 ( 13.753 -1.252 0.000) 13.810 8.642 ( -5.078 -2.752 0.000) 5.776 8.695 ( 8.493 -2.719 0.000) 8.918 8.877 ( -8.138 -1.921 0.000) 8.362 9.581 ( 10.483 -4.067 0.000) 11.244 9.751 ( -3.831 -2.027 0.000) 4.334 9.852 ( 2.051 -11.004 0.000) 11.194 9.987 ( -9.373 -7.865 0.000) 12.236 10.447 ( 7.246 1.505 0.000) 7.401 10.534 ( -1.320 -1.037 0.000) 1.679 10.928 ( 1.415 4.829 0.000) 5.032 10.961 ( -0.914 0.612 0.000) 1.100 11.084 ( 2.374 0.722 0.000) 2.482 11.178 ( -6.418 -3.896 0.000) 7.508 11.451 ( 6.563 2.580 0.000) 7.052 11.587 ( -8.118 4.561 0.000) 9.312 12.132 ( 8.253 -1.968 0.000) 8.484 12.267 ( -6.000 -3.504 0.000) 6.948 12.697 ( 5.016 0.707 0.000) 5.066 12.758 ( -1.339 0.199 0.000) 1.354 12.988 ( 3.547 -1.751 0.000) 3.956 13.075 ( -5.195 -3.653 0.000) 6.351 13.416 ( 4.053 5.986 0.000) 7.229 13.515 ( -5.634 8.455 0.000) 10.161 14.399 ( 9.437 1.664 0.000) 9.583 14.513 ( -2.400 7.770 0.000) 8.133 15.378 ( 2.208 1.498 0.000) 2.668 15.476 ( -7.509 -1.318 0.000) 7.624 16.082 ( 7.821 0.376 0.000) 7.830 16.208 ( -4.629 -0.880 0.000) 4.712 16.415 ( -0.243 7.934 0.000) 7.938 16.493 ( -5.772 1.645 0.000) 6.002 16.876 ( 6.725 1.546 0.000) 6.900 16.985 ( -5.258 -2.080 0.000) 5.655 17.196 ( 1.668 2.021 0.000) 2.620 17.243 ( -3.606 0.902 0.000) 3.717 17.557 ( 4.388 0.293 0.000) 4.398 17.620 ( -2.291 -0.562 0.000) 2.359 25.133 ( 1.610 2.458 0.000) 2.938 25.164 ( -1.747 2.667 0.000) 3.188 25.317 ( 2.148 0.264 0.000) 2.164 25.363 ( -2.716 0.491 0.000) 2.760 26.355 ( 5.009 4.466 0.000) 6.711 26.444 ( -4.511 4.706 0.000) 6.519 26.519 ( 2.215 1.803 0.000) 2.856 26.571 ( -3.009 1.574 0.000) 3.396 26.772 ( 1.474 3.632 0.000) 3.920 26.788 ( 0.474 2.261 0.000) 2.310 26.873 ( 3.266 1.499 0.000) 3.594 26.941 ( -3.275 0.384 0.000) 3.297 27.852 ( 1.439 9.294 0.000) 9.405 27.893 ( -3.013 6.429 0.000) 7.100 28.905 ( 4.957 -12.580 0.000) 13.522 28.981 ( -3.385 -11.878 0.000) 12.351 ======================= Grid point 15 (10/60) ======================= q-point: ( 0.00 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.559 ( 0.000 26.924 0.000) 26.924 1.946 ( 0.000 -7.586 0.000) 7.586 2.171 ( 0.000 -1.862 0.000) 1.862 2.397 ( 0.000 14.016 0.000) 14.016 2.502 ( 0.000 -3.050 0.000) 3.050 2.641 ( 0.000 15.758 0.000) 15.758 2.830 ( 0.000 -0.979 0.000) 0.979 2.962 ( 0.000 0.412 0.000) 0.412 3.059 ( 0.000 6.594 0.000) 6.594 3.220 ( 0.000 11.066 0.000) 11.066 3.442 ( 0.000 17.908 0.000) 17.908 3.706 ( 0.000 8.001 0.000) 8.001 3.718 ( 0.000 -0.812 0.000) 0.812 3.968 ( 0.000 4.796 0.000) 4.796 4.239 ( 0.000 -10.836 0.000) 10.836 4.361 ( 0.000 18.589 0.000) 18.589 4.405 ( 0.000 -22.872 0.000) 22.872 4.651 ( 0.000 5.813 0.000) 5.813 4.714 ( 0.000 13.546 0.000) 13.546 5.023 ( 0.000 -5.965 0.000) 5.965 5.154 ( 0.000 2.679 0.000) 2.679 5.202 ( 0.000 -1.260 0.000) 1.260 5.280 ( 0.000 -14.474 0.000) 14.474 5.399 ( 0.000 -4.819 0.000) 4.819 5.410 ( 0.000 -3.455 0.000) 3.455 5.737 ( 0.000 -1.999 0.000) 1.999 5.918 ( 0.000 -2.954 0.000) 2.954 6.009 ( 0.000 -2.995 0.000) 2.995 6.491 ( 0.000 2.987 0.000) 2.987 6.572 ( 0.000 2.268 0.000) 2.268 6.722 ( 0.000 2.462 0.000) 2.462 6.797 ( 0.000 7.647 0.000) 7.647 6.885 ( 0.000 -7.278 0.000) 7.278 7.143 ( 0.000 -7.396 0.000) 7.396 7.300 ( 0.000 1.522 0.000) 1.522 7.446 ( 0.000 -3.184 0.000) 3.184 7.524 ( 0.000 2.047 0.000) 2.047 7.530 ( 0.000 7.960 0.000) 7.960 7.620 ( 0.000 -1.668 0.000) 1.668 7.705 ( 0.000 -2.640 0.000) 2.640 7.933 ( 0.000 -5.317 0.000) 5.317 7.974 ( 0.000 -3.066 0.000) 3.066 8.184 ( 0.000 1.740 0.000) 1.740 8.346 ( 0.000 -5.285 0.000) 5.285 8.668 ( 0.000 -7.528 0.000) 7.528 8.701 ( 0.000 -16.626 0.000) 16.626 9.346 ( 0.000 -3.089 0.000) 3.089 9.620 ( 0.000 1.859 0.000) 1.859 9.779 ( 0.000 -10.349 0.000) 10.349 9.996 ( 0.000 -11.671 0.000) 11.671 10.337 ( 0.000 3.694 0.000) 3.694 10.472 ( 0.000 0.705 0.000) 0.705 10.905 ( 0.000 2.877 0.000) 2.877 11.106 ( 0.000 8.306 0.000) 8.306 11.195 ( 0.000 0.018 0.000) 0.018 11.241 ( 0.000 -0.715 0.000) 0.715 11.292 ( 0.000 -0.997 0.000) 0.997 11.787 ( 0.000 -5.072 0.000) 5.072 12.016 ( 0.000 3.299 0.000) 3.299 12.236 ( 0.000 -3.779 0.000) 3.779 12.593 ( 0.000 2.695 0.000) 2.695 12.702 ( 0.000 -2.002 0.000) 2.002 12.944 ( 0.000 -5.703 0.000) 5.703 12.976 ( 0.000 -8.601 0.000) 8.601 13.488 ( 0.000 7.072 0.000) 7.072 13.606 ( 0.000 2.898 0.000) 2.898 14.304 ( 0.000 7.042 0.000) 7.042 14.614 ( 0.000 2.226 0.000) 2.226 15.556 ( 0.000 8.057 0.000) 8.057 15.852 ( 0.000 16.199 0.000) 16.199 15.858 ( 0.000 -2.117 0.000) 2.117 16.395 ( 0.000 0.205 0.000) 0.205 16.494 ( 0.000 -0.727 0.000) 0.727 16.622 ( 0.000 0.978 0.000) 0.978 16.962 ( 0.000 11.970 0.000) 11.970 16.984 ( 0.000 -1.213 0.000) 1.213 17.182 ( 0.000 0.770 0.000) 0.770 17.375 ( 0.000 -5.224 0.000) 5.224 17.431 ( 0.000 -1.844 0.000) 1.844 17.562 ( 0.000 -4.090 0.000) 4.090 25.156 ( 0.000 2.681 0.000) 2.681 25.269 ( 0.000 -0.871 0.000) 0.871 25.285 ( 0.000 3.762 0.000) 3.762 25.431 ( 0.000 -0.173 0.000) 0.173 26.313 ( 0.000 3.185 0.000) 3.185 26.504 ( 0.000 -2.924 0.000) 2.924 26.594 ( 0.000 4.345 0.000) 4.345 26.652 ( 0.000 4.657 0.000) 4.657 26.731 ( 0.000 2.317 0.000) 2.317 26.811 ( 0.000 2.562 0.000) 2.562 26.910 ( 0.000 -0.954 0.000) 0.954 26.946 ( 0.000 -3.279 0.000) 3.279 28.003 ( 0.000 4.252 0.000) 4.252 28.149 ( 0.000 13.712 0.000) 13.712 28.551 ( 0.000 -10.630 0.000) 10.630 28.849 ( 0.000 -8.999 0.000) 8.999 ======================= Grid point 16 (11/60) ======================= q-point: ( 0.20 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.775 ( 20.285 20.404 0.000) 28.771 2.056 ( 11.894 -3.782 0.000) 12.481 2.292 ( 9.999 1.087 0.000) 10.058 2.423 ( 0.326 8.112 0.000) 8.119 2.520 ( 5.077 8.575 0.000) 9.965 2.711 ( 4.219 -5.259 0.000) 6.742 2.905 ( 7.879 -2.221 0.000) 8.186 3.018 ( 2.975 15.218 0.000) 15.506 3.057 ( 4.645 1.724 0.000) 4.955 3.223 ( -0.657 16.423 0.000) 16.436 3.516 ( 6.723 6.312 0.000) 9.221 3.681 ( -3.277 1.102 0.000) 3.457 3.749 ( 2.953 7.849 0.000) 8.387 3.924 ( -2.283 5.944 0.000) 6.368 4.230 ( -2.045 -9.177 0.000) 9.402 4.293 ( -6.980 17.485 0.000) 18.827 4.405 ( 2.041 -11.664 0.000) 11.841 4.519 ( -8.945 6.096 0.000) 10.825 4.751 ( -4.135 10.548 0.000) 11.330 4.942 ( -3.562 -5.024 0.000) 6.159 4.959 ( -15.533 0.234 0.000) 15.535 5.038 ( -14.970 -9.247 0.000) 17.596 5.291 ( -0.894 -3.098 0.000) 3.224 5.438 ( 10.737 -4.068 0.000) 11.482 5.582 ( 5.798 -6.678 0.000) 8.844 5.716 ( -3.640 1.532 0.000) 3.949 5.791 ( -11.072 0.221 0.000) 11.075 6.055 ( 1.518 -0.748 0.000) 1.692 6.369 ( -8.874 0.022 0.000) 8.874 6.585 ( -0.055 2.336 0.000) 2.336 6.619 ( -5.287 3.660 0.000) 6.431 6.740 ( -9.801 -5.301 0.000) 11.143 6.946 ( 7.803 -0.354 0.000) 7.811 7.104 ( -3.222 -4.843 0.000) 5.816 7.232 ( -4.657 -1.855 0.000) 5.013 7.343 ( -0.818 -0.766 0.000) 1.121 7.438 ( -2.356 3.521 0.000) 4.236 7.642 ( 0.922 -2.030 0.000) 2.230 7.686 ( -0.970 -4.143 0.000) 4.255 7.785 ( 5.046 -3.988 0.000) 6.432 7.952 ( 1.446 -2.193 0.000) 2.627 8.120 ( 10.535 3.023 0.000) 10.960 8.187 ( 5.232 -0.698 0.000) 5.279 8.418 ( 7.612 -4.416 0.000) 8.800 8.589 ( -4.483 -12.526 0.000) 13.304 8.796 ( 4.563 -9.716 0.000) 10.734 9.376 ( 3.705 -2.240 0.000) 4.330 9.626 ( 0.982 -1.651 0.000) 1.921 9.753 ( -2.749 -7.911 0.000) 8.375 9.951 ( -4.898 -9.777 0.000) 10.936 10.380 ( 4.348 3.208 0.000) 5.403 10.494 ( 2.000 0.144 0.000) 2.005 10.895 ( 0.133 0.136 0.000) 0.191 11.086 ( -5.518 4.183 0.000) 6.924 11.147 ( -1.303 -1.039 0.000) 1.667 11.206 ( -1.596 2.280 0.000) 2.783 11.388 ( 7.369 2.828 0.000) 7.893 11.792 ( -1.492 -1.115 0.000) 1.863 12.009 ( 1.614 2.200 0.000) 2.729 12.244 ( -0.241 -3.766 0.000) 3.773 12.590 ( 0.419 -1.205 0.000) 1.276 12.709 ( -0.494 -3.691 0.000) 3.724 12.906 ( -1.025 -4.330 0.000) 4.450 12.986 ( -1.146 -8.012 0.000) 8.093 13.515 ( 3.735 8.425 0.000) 9.216 13.718 ( 8.926 5.662 0.000) 10.570 14.266 ( -1.832 3.640 0.000) 4.075 14.624 ( -0.452 0.125 0.000) 0.469 15.530 ( -2.298 8.264 0.000) 8.578 15.695 ( -8.761 7.500 0.000) 11.532 15.981 ( 5.962 3.916 0.000) 7.133 16.292 ( -7.547 -0.404 0.000) 7.558 16.524 ( 3.209 1.769 0.000) 3.664 16.736 ( 5.814 4.868 0.000) 7.583 16.831 ( -5.616 5.143 0.000) 7.616 17.032 ( -0.735 4.216 0.000) 4.280 17.191 ( 1.215 0.112 0.000) 1.220 17.313 ( -4.767 -3.009 0.000) 5.637 17.463 ( 2.891 -2.832 0.000) 4.047 17.576 ( 0.662 -4.625 0.000) 4.672 25.164 ( 0.898 2.647 0.000) 2.795 25.261 ( -1.578 2.192 0.000) 2.700 25.287 ( 1.083 0.751 0.000) 1.318 25.413 ( -1.873 -0.173 0.000) 1.881 26.351 ( 3.959 3.421 0.000) 5.233 26.523 ( 1.849 -0.481 0.000) 1.910 26.591 ( -1.356 3.618 0.000) 3.864 26.647 ( -0.482 3.412 0.000) 3.445 26.742 ( 1.869 1.716 0.000) 2.537 26.818 ( 0.618 2.276 0.000) 2.358 26.901 ( -0.845 -0.662 0.000) 1.073 26.940 ( -0.814 -3.038 0.000) 3.145 28.003 ( 0.169 4.675 0.000) 4.678 28.115 ( -3.161 11.702 0.000) 12.121 28.592 ( 3.931 -9.733 0.000) 10.497 28.825 ( -2.569 -8.944 0.000) 9.306 ======================= Grid point 17 (12/60) ======================= q-point: ( 0.40 0.33 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.150 ( 17.808 11.996 0.000) 21.472 2.294 ( 8.914 4.028 0.000) 9.782 2.385 ( -2.316 11.657 0.000) 11.885 2.416 ( 0.587 -1.494 0.000) 1.605 2.663 ( 7.942 0.909 0.000) 7.994 2.744 ( -0.706 -8.891 0.000) 8.919 3.024 ( 3.098 4.704 0.000) 5.632 3.058 ( 4.792 0.440 0.000) 4.812 3.177 ( -0.734 21.273 0.000) 21.286 3.232 ( 1.391 4.088 0.000) 4.318 3.570 ( 4.402 4.028 0.000) 5.967 3.656 ( -0.748 -5.019 0.000) 5.075 3.824 ( 5.617 8.889 0.000) 10.515 3.949 ( -0.664 11.484 0.000) 11.503 4.151 ( -3.662 13.638 0.000) 14.121 4.172 ( -1.924 6.144 0.000) 6.438 4.370 ( -4.273 -6.117 0.000) 7.462 4.467 ( -5.508 -1.075 0.000) 5.612 4.668 ( 1.336 9.167 0.000) 9.264 4.675 ( -5.775 1.397 0.000) 5.942 4.792 ( -6.277 -8.469 0.000) 10.542 4.935 ( -7.399 -4.879 0.000) 8.863 5.260 ( 1.561 5.902 0.000) 6.105 5.434 ( -16.710 12.447 0.000) 20.836 5.614 ( 4.202 -7.883 0.000) 8.933 5.655 ( 1.031 -11.823 0.000) 11.868 5.759 ( 8.237 0.264 0.000) 8.241 5.978 ( -10.578 -2.215 0.000) 10.807 6.334 ( 5.498 1.764 0.000) 5.774 6.481 ( -9.285 2.462 0.000) 9.606 6.605 ( 2.182 -4.503 0.000) 5.004 6.642 ( -1.947 -5.001 0.000) 5.366 7.032 ( 1.710 -3.284 0.000) 3.702 7.057 ( -1.713 -2.629 0.000) 3.138 7.228 ( 2.966 -3.095 0.000) 4.286 7.293 ( -3.683 -3.689 0.000) 5.213 7.475 ( 4.690 3.578 0.000) 5.899 7.576 ( -5.793 1.051 0.000) 5.888 7.705 ( 3.230 -6.356 0.000) 7.130 7.781 ( -4.047 -6.445 0.000) 7.610 8.035 ( 5.826 2.895 0.000) 6.505 8.117 ( -3.038 1.622 0.000) 3.444 8.380 ( 7.683 -7.142 0.000) 10.490 8.494 ( -5.164 -12.650 0.000) 13.664 8.634 ( 12.653 -0.774 0.000) 12.676 8.801 ( -4.625 -4.072 0.000) 6.162 9.491 ( 8.335 -4.227 0.000) 9.346 9.626 ( -4.367 -8.885 0.000) 9.900 9.722 ( 2.775 -1.203 0.000) 3.025 9.831 ( -7.455 -5.678 0.000) 9.371 10.471 ( 4.719 1.079 0.000) 4.841 10.520 ( -0.161 -0.464 0.000) 0.491 10.923 ( 2.475 -2.584 0.000) 3.578 10.981 ( -4.463 -1.969 0.000) 4.878 11.133 ( 0.017 3.174 0.000) 3.174 11.163 ( -2.823 2.681 0.000) 3.893 11.544 ( 9.159 5.949 0.000) 10.922 11.701 ( -7.544 5.148 0.000) 9.133 12.098 ( 6.615 -1.037 0.000) 6.696 12.203 ( -4.278 -2.454 0.000) 4.932 12.618 ( 2.573 -5.336 0.000) 5.924 12.674 ( -2.994 -6.214 0.000) 6.898 12.910 ( 1.109 -4.741 0.000) 4.869 12.946 ( -2.560 -6.651 0.000) 7.127 13.632 ( 8.570 12.115 0.000) 14.839 13.773 ( -4.486 13.014 0.000) 13.766 14.345 ( 10.710 -5.034 0.000) 11.834 14.546 ( -8.646 -4.107 0.000) 9.571 15.506 ( 0.453 8.497 0.000) 8.509 15.560 ( -5.502 7.692 0.000) 9.457 16.082 ( 5.331 -0.282 0.000) 5.339 16.178 ( -5.264 -1.850 0.000) 5.580 16.577 ( 2.921 8.134 0.000) 8.643 16.660 ( -6.339 11.739 0.000) 13.341 16.906 ( 6.052 0.816 0.000) 6.107 16.988 ( -3.281 2.622 0.000) 4.200 17.213 ( 1.016 0.018 0.000) 1.016 17.242 ( -2.685 -0.805 0.000) 2.803 17.522 ( 3.191 -3.893 0.000) 5.034 17.568 ( -1.608 -4.592 0.000) 4.866 25.188 ( 1.684 2.666 0.000) 3.153 25.224 ( -2.167 2.799 0.000) 3.540 25.320 ( 2.416 0.025 0.000) 2.416 25.369 ( -2.756 -0.110 0.000) 2.758 26.442 ( 5.563 3.878 0.000) 6.781 26.535 ( -4.165 3.987 0.000) 5.766 26.567 ( 2.536 2.161 0.000) 3.331 26.617 ( -2.622 2.617 0.000) 3.704 26.800 ( 3.319 -0.376 0.000) 3.340 26.828 ( 0.142 1.257 0.000) 1.265 26.889 ( 0.042 -0.462 0.000) 0.464 26.914 ( -1.970 -2.066 0.000) 2.855 28.015 ( 1.328 6.058 0.000) 6.202 28.055 ( -2.995 8.511 0.000) 9.022 28.676 ( 4.920 -9.007 0.000) 10.263 28.761 ( -4.284 -8.883 0.000) 9.862 ======================= Grid point 20 (13/60) ======================= q-point: ( 0.00 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.875 ( 0.000 2.548 0.000) 2.548 2.010 ( 0.000 -9.069 0.000) 9.069 2.118 ( 0.000 24.736 0.000) 24.736 2.468 ( 0.000 2.152 0.000) 2.152 2.513 ( 0.000 -6.649 0.000) 6.649 2.607 ( 0.000 -11.076 0.000) 11.076 2.932 ( 0.000 2.364 0.000) 2.364 2.970 ( 0.000 3.458 0.000) 3.458 3.228 ( 0.000 2.325 0.000) 2.325 3.228 ( 0.000 -0.759 0.000) 0.759 3.628 ( 0.000 3.076 0.000) 3.076 3.758 ( 0.000 -5.228 0.000) 5.228 3.888 ( 0.000 10.101 0.000) 10.101 4.036 ( 0.000 -5.307 0.000) 5.307 4.123 ( 0.000 8.313 0.000) 8.313 4.143 ( 0.000 3.470 0.000) 3.470 4.692 ( 0.000 -11.551 0.000) 11.551 4.698 ( 0.000 -10.898 0.000) 10.898 4.791 ( 0.000 18.277 0.000) 18.277 4.982 ( 0.000 5.365 0.000) 5.365 5.120 ( 0.000 -2.422 0.000) 2.422 5.136 ( 0.000 -5.671 0.000) 5.671 5.314 ( 0.000 10.420 0.000) 10.420 5.400 ( 0.000 1.128 0.000) 1.128 5.421 ( 0.000 6.266 0.000) 6.266 5.637 ( 0.000 -8.616 0.000) 8.616 5.866 ( 0.000 -1.703 0.000) 1.703 5.875 ( 0.000 -4.753 0.000) 4.753 6.574 ( 0.000 6.939 0.000) 6.939 6.621 ( 0.000 2.220 0.000) 2.220 6.745 ( 0.000 -3.337 0.000) 3.337 6.869 ( 0.000 -9.364 0.000) 9.364 6.937 ( 0.000 11.783 0.000) 11.783 7.034 ( 0.000 2.932 0.000) 2.932 7.326 ( 0.000 -0.616 0.000) 0.616 7.345 ( 0.000 -5.487 0.000) 5.487 7.489 ( 0.000 -1.701 0.000) 1.701 7.552 ( 0.000 -5.143 0.000) 5.143 7.641 ( 0.000 3.050 0.000) 3.050 7.703 ( 0.000 -0.372 0.000) 0.372 7.892 ( 0.000 0.042 0.000) 0.042 7.910 ( 0.000 1.266 0.000) 1.266 8.243 ( 0.000 -3.552 0.000) 3.552 8.267 ( 0.000 2.043 0.000) 2.043 8.392 ( 0.000 -7.003 0.000) 7.003 8.503 ( 0.000 -8.116 0.000) 8.116 9.359 ( 0.000 4.925 0.000) 4.925 9.528 ( 0.000 -9.787 0.000) 9.787 9.699 ( 0.000 2.641 0.000) 2.641 9.798 ( 0.000 -6.938 0.000) 6.938 10.413 ( 0.000 3.176 0.000) 3.176 10.463 ( 0.000 -1.534 0.000) 1.534 10.977 ( 0.000 4.161 0.000) 4.161 11.079 ( 0.000 -5.307 0.000) 5.307 11.261 ( 0.000 2.003 0.000) 2.003 11.281 ( 0.000 -0.374 0.000) 0.374 11.378 ( 0.000 11.654 0.000) 11.654 11.617 ( 0.000 -10.377 0.000) 10.377 12.095 ( 0.000 3.908 0.000) 3.908 12.169 ( 0.000 -3.111 0.000) 3.111 12.632 ( 0.000 1.474 0.000) 1.474 12.663 ( 0.000 -1.577 0.000) 1.577 12.840 ( 0.000 -3.115 0.000) 3.115 12.841 ( 0.000 -3.484 0.000) 3.484 13.608 ( 0.000 3.749 0.000) 3.749 13.643 ( 0.000 0.264 0.000) 0.264 14.455 ( 0.000 6.976 0.000) 6.976 14.580 ( 0.000 -4.473 0.000) 4.473 15.716 ( 0.000 6.232 0.000) 6.232 15.809 ( 0.000 -2.962 0.000) 2.962 16.197 ( 0.000 14.405 0.000) 14.405 16.376 ( 0.000 -2.914 0.000) 2.914 16.494 ( 0.000 1.235 0.000) 1.235 16.572 ( 0.000 -5.181 0.000) 5.181 17.039 ( 0.000 6.082 0.000) 6.082 17.181 ( 0.000 -2.598 0.000) 2.598 17.219 ( 0.000 9.388 0.000) 9.388 17.271 ( 0.000 0.439 0.000) 0.439 17.352 ( 0.000 -5.135 0.000) 5.135 17.432 ( 0.000 -8.264 0.000) 8.264 25.207 ( 0.000 2.134 0.000) 2.134 25.245 ( 0.000 -1.461 0.000) 1.461 25.360 ( 0.000 3.191 0.000) 3.191 25.412 ( 0.000 -1.686 0.000) 1.686 26.378 ( 0.000 3.027 0.000) 3.027 26.441 ( 0.000 -3.049 0.000) 3.049 26.690 ( 0.000 4.600 0.000) 4.600 26.760 ( 0.000 -0.562 0.000) 0.562 26.760 ( 0.000 5.198 0.000) 5.198 26.841 ( 0.000 0.495 0.000) 0.495 26.846 ( 0.000 -3.075 0.000) 3.075 26.877 ( 0.000 -3.763 0.000) 3.763 28.133 ( 0.000 8.076 0.000) 8.076 28.328 ( 0.000 -10.254 0.000) 10.254 28.425 ( 0.000 12.140 0.000) 12.140 28.655 ( 0.000 -9.883 0.000) 9.883 ======================= Grid point 21 (14/60) ======================= q-point: ( 0.20 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.034 ( 15.235 3.328 0.000) 15.595 2.142 ( 13.825 -0.455 0.000) 13.833 2.234 ( 10.032 11.454 0.000) 15.226 2.440 ( -1.044 -2.423 0.000) 2.638 2.556 ( 3.552 -2.594 0.000) 4.398 2.670 ( 3.804 -9.014 0.000) 9.784 2.887 ( 0.948 8.561 0.000) 8.614 3.095 ( 6.808 -4.807 0.000) 8.334 3.221 ( 1.940 4.251 0.000) 4.673 3.327 ( 7.805 -4.210 0.000) 8.868 3.611 ( -1.518 4.588 0.000) 4.833 3.696 ( -6.908 -0.351 0.000) 6.917 3.873 ( -0.630 7.739 0.000) 7.765 4.015 ( -0.483 -1.343 0.000) 1.427 4.140 ( 2.634 6.586 0.000) 7.093 4.244 ( 9.685 -1.123 0.000) 9.750 4.625 ( -5.904 -6.256 0.000) 8.602 4.685 ( -2.657 -2.055 0.000) 3.359 4.740 ( -3.296 9.782 0.000) 10.322 4.826 ( -13.800 3.559 0.000) 14.252 4.970 ( -14.202 -1.614 0.000) 14.294 5.045 ( -10.502 -4.019 0.000) 11.245 5.363 ( 5.492 10.640 0.000) 11.973 5.415 ( 1.118 0.723 0.000) 1.331 5.519 ( 3.992 2.637 0.000) 4.785 5.689 ( 5.472 -4.185 0.000) 6.889 5.783 ( -4.098 -0.048 0.000) 4.098 5.906 ( -0.001 -9.482 0.000) 9.482 6.447 ( -7.975 6.479 0.000) 10.275 6.569 ( -7.525 -3.451 0.000) 8.279 6.752 ( -1.842 3.713 0.000) 4.145 6.808 ( -10.688 4.964 0.000) 11.785 6.927 ( 2.130 5.215 0.000) 5.634 7.058 ( 1.485 0.875 0.000) 1.723 7.171 ( -5.453 -3.293 0.000) 6.370 7.252 ( -7.677 -10.424 0.000) 12.946 7.482 ( 1.016 1.455 0.000) 1.775 7.553 ( 0.448 -4.401 0.000) 4.424 7.622 ( -1.144 2.532 0.000) 2.779 7.718 ( -0.487 -4.412 0.000) 4.439 7.964 ( 7.307 3.166 0.000) 7.963 8.097 ( 7.023 -7.193 0.000) 10.053 8.199 ( -0.479 1.861 0.000) 1.922 8.296 ( -2.179 -8.445 0.000) 8.722 8.443 ( 10.768 5.446 0.000) 12.067 8.613 ( 8.890 -8.407 0.000) 12.236 9.381 ( 2.312 3.582 0.000) 4.263 9.514 ( -1.485 -7.893 0.000) 8.032 9.700 ( 0.452 2.045 0.000) 2.094 9.785 ( -1.347 -5.921 0.000) 6.072 10.444 ( 2.948 2.620 0.000) 3.944 10.485 ( 1.866 -1.179 0.000) 2.207 10.922 ( -3.846 2.684 0.000) 4.690 11.007 ( -6.243 -5.124 0.000) 8.077 11.234 ( -2.427 2.980 0.000) 3.843 11.250 ( -1.926 0.994 0.000) 2.168 11.506 ( 9.910 8.192 0.000) 12.858 11.686 ( 5.916 -7.864 0.000) 9.841 12.088 ( -0.365 4.460 0.000) 4.475 12.173 ( -0.017 -3.483 0.000) 3.483 12.579 ( -3.621 0.687 0.000) 3.685 12.626 ( -3.814 -3.568 0.000) 5.222 12.838 ( 0.336 -1.419 0.000) 1.458 12.860 ( -0.165 -3.613 0.000) 3.616 13.674 ( 7.651 6.154 0.000) 9.819 13.759 ( 11.245 -1.530 0.000) 11.348 14.391 ( -6.422 7.514 0.000) 9.884 14.545 ( -4.454 -6.413 0.000) 7.808 15.691 ( -2.192 6.134 0.000) 6.514 15.767 ( -4.108 -0.774 0.000) 4.180 16.130 ( -4.366 8.097 0.000) 9.200 16.254 ( -8.435 -3.546 0.000) 9.150 16.601 ( 9.034 5.321 0.000) 10.485 16.716 ( 10.231 -4.532 0.000) 11.190 16.985 ( -4.689 8.341 0.000) 9.569 17.140 ( -5.228 -3.554 0.000) 6.322 17.230 ( 1.507 8.264 0.000) 8.401 17.265 ( -0.501 1.667 0.000) 1.740 17.368 ( 1.617 -5.380 0.000) 5.618 17.438 ( 0.272 -8.412 0.000) 8.417 25.216 ( 0.918 2.164 0.000) 2.350 25.253 ( 0.811 -1.381 0.000) 1.602 25.345 ( -1.421 3.025 0.000) 3.342 25.395 ( -1.776 -1.626 0.000) 2.408 26.420 ( 4.361 3.177 0.000) 5.395 26.483 ( 4.213 -2.754 0.000) 5.033 26.675 ( -1.769 4.066 0.000) 4.434 26.719 ( -2.681 1.655 0.000) 3.151 26.786 ( 1.167 2.480 0.000) 2.740 26.835 ( -0.472 -1.232 0.000) 1.320 26.851 ( 0.394 -1.248 0.000) 1.309 26.878 ( -0.024 -3.214 0.000) 3.214 28.129 ( -0.236 7.182 0.000) 7.186 28.261 ( -5.031 -2.082 0.000) 5.445 28.483 ( 4.181 3.504 0.000) 5.455 28.642 ( -1.342 -8.713 0.000) 8.816 ======================= Grid point 22 (15/60) ======================= q-point: ( 0.40 0.44 0.00) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 92 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.345 ( 16.481 6.067 0.000) 17.562 2.369 ( 4.672 2.983 0.000) 5.543 2.378 ( 4.360 0.795 0.000) 4.432 2.495 ( 10.483 -5.359 0.000) 11.774 2.581 ( -4.776 1.661 0.000) 5.056 2.650 ( -5.222 0.235 0.000) 5.228 2.987 ( 8.453 -2.810 0.000) 8.908 3.127 ( -4.602 -10.239 0.000) 11.226 3.312 ( 7.959 8.621 0.000) 11.733 3.434 ( 0.128 -0.133 0.000) 0.184 3.550 ( -4.708 0.729 0.000) 4.764 3.573 ( -2.944 -0.253 0.000) 2.955 3.960 ( 10.611 7.908 0.000) 13.234 4.061 ( 3.405 0.121 0.000) 3.407 4.240 ( 8.649 6.040 0.000) 10.549 4.377 ( -0.231 -2.865 0.000) 2.874 4.495 ( -7.656 5.772 0.000) 9.588 4.520 ( -13.546 11.941 0.000) 18.058 4.635 ( -2.584 -2.811 0.000) 3.818 4.712 ( -9.939 -2.458 0.000) 10.239 4.750 ( 3.084 0.910 0.000) 3.216 4.855 ( -7.343 -1.456 0.000) 7.486 5.394 ( -2.539 -8.528 0.000) 8.898 5.403 ( -2.848 -7.574 0.000) 8.092 5.573 ( 7.160 16.338 0.000) 17.838 5.721 ( -6.049 6.883 0.000) 9.163 5.795 ( 4.916 1.813 0.000) 5.240 5.872 ( -3.156 -7.442 0.000) 8.083 6.390 ( 4.199 4.394 0.000) 6.078 6.495 ( 0.552 -4.070 0.000) 4.107 6.576 ( -11.150 4.313 0.000) 11.955 6.632 ( -9.346 0.182 0.000) 9.348 6.988 ( 3.394 2.053 0.000) 3.966 7.042 ( -2.402 0.804 0.000) 2.533 7.161 ( 1.549 -3.411 0.000) 3.747 7.183 ( -1.096 -6.585 0.000) 6.676 7.528 ( 3.353 2.239 0.000) 4.032 7.578 ( -0.211 0.813 0.000) 0.840 7.602 ( 1.481 -2.657 0.000) 3.042 7.675 ( -4.004 -4.445 0.000) 5.982 8.068 ( 3.936 -1.613 0.000) 4.254 8.116 ( -1.580 -5.617 0.000) 5.835 8.216 ( 1.100 -2.500 0.000) 2.731 8.248 ( -2.405 -5.374 0.000) 5.888 8.667 ( 9.726 3.215 0.000) 10.243 8.735 ( 2.438 -2.809 0.000) 3.719 9.433 ( 3.025 -0.562 0.000) 3.077 9.481 ( -2.134 -4.880 0.000) 5.326 9.719 ( 1.499 0.832 0.000) 1.715 9.752 ( -2.043 -2.375 0.000) 3.133 10.493 ( 1.959 0.967 0.000) 2.185 10.509 ( 0.363 -0.587 0.000) 0.690 10.886 ( 0.002 -0.436 0.000) 0.436 10.914 ( -3.216 -2.922 0.000) 4.345 11.197 ( -1.163 2.004 0.000) 2.317 11.207 ( -2.151 0.964 0.000) 2.357 11.676 ( 7.809 5.902 0.000) 9.788 11.755 ( -0.021 -0.763 0.000) 0.763 12.103 ( 2.369 1.718 0.000) 2.926 12.154 ( -2.262 -2.534 0.000) 3.397 12.538 ( -0.537 -1.625 0.000) 1.711 12.560 ( -2.759 -3.684 0.000) 4.603 12.832 ( -0.454 -1.998 0.000) 2.049 12.841 ( -1.291 -2.893 0.000) 3.168 13.862 ( 11.369 9.099 0.000) 14.562 13.961 ( 5.745 2.164 0.000) 6.139 14.278 ( -1.837 1.418 0.000) 2.320 14.405 ( -10.377 -8.030 0.000) 13.121 15.663 ( -0.220 5.343 0.000) 5.348 15.692 ( -3.285 3.045 0.000) 4.479 16.087 ( -0.059 1.173 0.000) 1.174 16.131 ( -4.760 -2.529 0.000) 5.390 16.757 ( 7.653 7.889 0.000) 10.991 16.862 ( 0.211 1.799 0.000) 1.812 16.913 ( 2.085 4.169 0.000) 4.661 17.027 ( -6.596 -1.984 0.000) 6.888 17.248 ( 0.518 4.985 0.000) 5.012 17.256 ( -0.452 3.435 0.000) 3.465 17.403 ( 1.983 -6.528 0.000) 6.823 17.432 ( -1.020 -7.838 0.000) 7.904 25.239 ( 1.553 2.010 0.000) 2.541 25.262 ( -0.435 0.254 0.000) 0.503 25.328 ( 0.269 1.063 0.000) 1.097 25.356 ( -2.238 -1.153 0.000) 2.517 26.518 ( 5.818 3.284 0.000) 6.680 26.571 ( 4.343 -1.278 0.000) 4.527 26.622 ( -3.650 3.349 0.000) 4.954 26.660 ( -3.827 0.466 0.000) 3.855 26.807 ( 1.154 1.204 0.000) 1.668 26.825 ( -0.758 -0.654 0.000) 1.001 26.860 ( 0.661 -1.185 0.000) 1.357 26.873 ( -0.571 -2.123 0.000) 2.199 28.135 ( 1.160 4.949 0.000) 5.083 28.179 ( -3.667 2.057 0.000) 4.205 28.553 ( 3.448 -1.715 0.000) 3.851 28.607 ( -2.477 -5.713 0.000) 6.226 ======================= Grid point 45 (16/60) ======================= q-point: ( 0.00 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.885 ( 0.000 0.000 43.552) 43.552 0.906 ( 0.000 0.000 44.465) 44.465 1.392 ( 0.000 0.000 63.466) 63.466 1.720 ( 0.000 0.000 11.999) 11.999 2.098 ( 0.000 0.000 14.885) 14.885 2.189 ( 0.000 0.000 -5.945) 5.945 2.394 ( 0.000 0.000 5.742) 5.742 2.525 ( 0.000 0.000 -5.423) 5.423 2.711 ( 0.000 0.000 -2.943) 2.943 2.863 ( 0.000 0.000 9.283) 9.283 2.885 ( 0.000 0.000 -1.261) 1.261 3.394 ( 0.000 0.000 7.163) 7.163 3.874 ( 0.000 0.000 25.247) 25.247 3.909 ( 0.000 0.000 -13.358) 13.358 4.169 ( 0.000 0.000 17.435) 17.435 4.239 ( 0.000 0.000 -2.741) 2.741 4.288 ( 0.000 0.000 16.405) 16.405 4.888 ( 0.000 0.000 -20.821) 20.821 4.897 ( 0.000 0.000 -16.501) 16.501 4.900 ( 0.000 0.000 11.747) 11.747 5.551 ( 0.000 0.000 4.842) 4.842 5.555 ( 0.000 0.000 7.940) 7.940 5.591 ( 0.000 0.000 3.608) 3.608 5.717 ( 0.000 0.000 -9.402) 9.402 5.907 ( 0.000 0.000 5.238) 5.238 5.916 ( 0.000 0.000 -7.203) 7.203 5.929 ( 0.000 0.000 9.317) 9.317 6.007 ( 0.000 0.000 8.363) 8.363 6.519 ( 0.000 0.000 5.152) 5.152 6.564 ( 0.000 0.000 4.616) 4.616 6.794 ( 0.000 0.000 -13.377) 13.377 6.808 ( 0.000 0.000 1.182) 1.182 6.899 ( 0.000 0.000 0.468) 0.468 7.131 ( 0.000 0.000 2.841) 2.841 7.262 ( 0.000 0.000 -11.843) 11.843 7.312 ( 0.000 0.000 -4.111) 4.111 7.541 ( 0.000 0.000 -4.086) 4.086 7.729 ( 0.000 0.000 9.863) 9.863 7.780 ( 0.000 0.000 7.825) 7.825 7.897 ( 0.000 0.000 -12.027) 12.027 8.083 ( 0.000 0.000 -1.883) 1.883 8.104 ( 0.000 0.000 -3.362) 3.362 8.297 ( 0.000 0.000 -16.294) 16.294 8.316 ( 0.000 0.000 -24.567) 24.567 8.686 ( 0.000 0.000 6.113) 6.113 9.134 ( 0.000 0.000 3.528) 3.528 9.656 ( 0.000 0.000 -13.174) 13.174 9.665 ( 0.000 0.000 13.534) 13.534 10.138 ( 0.000 0.000 -0.820) 0.820 10.167 ( 0.000 0.000 6.337) 6.337 10.213 ( 0.000 0.000 0.740) 0.740 10.583 ( 0.000 0.000 -4.790) 4.790 10.978 ( 0.000 0.000 -7.431) 7.431 10.980 ( 0.000 0.000 -2.108) 2.108 11.012 ( 0.000 0.000 -7.576) 7.576 11.120 ( 0.000 0.000 -2.577) 2.577 11.596 ( 0.000 0.000 1.112) 1.112 11.642 ( 0.000 0.000 2.401) 2.401 11.662 ( 0.000 0.000 10.802) 10.802 11.952 ( 0.000 0.000 -0.748) 0.748 12.592 ( 0.000 0.000 -1.791) 1.791 12.727 ( 0.000 0.000 -6.713) 6.713 12.985 ( 0.000 0.000 0.241) 0.241 13.082 ( 0.000 0.000 -3.171) 3.171 13.437 ( 0.000 0.000 2.710) 2.710 13.606 ( 0.000 0.000 4.042) 4.042 13.792 ( 0.000 0.000 0.372) 0.372 13.971 ( 0.000 0.000 -4.186) 4.186 15.435 ( 0.000 0.000 4.820) 4.820 15.752 ( 0.000 0.000 6.786) 6.786 15.998 ( 0.000 0.000 4.363) 4.363 16.188 ( 0.000 0.000 -2.985) 2.985 16.285 ( 0.000 0.000 -0.639) 0.639 16.462 ( 0.000 0.000 -3.246) 3.246 16.632 ( 0.000 0.000 -0.845) 0.845 17.044 ( 0.000 0.000 -12.915) 12.915 17.351 ( 0.000 0.000 3.377) 3.377 17.542 ( 0.000 0.000 7.656) 7.656 17.578 ( 0.000 0.000 3.890) 3.890 18.036 ( 0.000 0.000 -1.739) 1.739 25.067 ( 0.000 0.000 1.185) 1.185 25.134 ( 0.000 0.000 1.080) 1.080 25.269 ( 0.000 0.000 -1.103) 1.103 25.393 ( 0.000 0.000 -1.624) 1.624 26.270 ( 0.000 0.000 0.688) 0.688 26.321 ( 0.000 0.000 0.144) 0.144 26.516 ( 0.000 0.000 1.620) 1.620 26.561 ( 0.000 0.000 -5.917) 5.917 26.605 ( 0.000 0.000 -3.740) 3.740 26.668 ( 0.000 0.000 -0.671) 0.671 26.770 ( 0.000 0.000 -2.362) 2.362 26.834 ( 0.000 0.000 -1.222) 1.222 27.747 ( 0.000 0.000 13.981) 13.981 28.108 ( 0.000 0.000 5.990) 5.990 28.914 ( 0.000 0.000 -3.096) 3.096 29.189 ( 0.000 0.000 -6.802) 6.802 ======================= Grid point 46 (17/60) ======================= q-point: ( 0.20 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.799 ( 10.564 0.000 27.264) 29.239 1.031 ( 12.449 0.000 36.778) 38.828 1.633 ( 1.283 0.000 12.990) 13.054 2.017 ( -6.637 0.000 -7.898) 10.317 2.057 ( 40.505 0.000 48.431) 63.137 2.235 ( 1.435 0.000 1.001) 1.749 2.428 ( 2.078 0.000 4.249) 4.730 2.621 ( 7.022 0.000 2.992) 7.632 2.775 ( -4.331 0.000 -2.292) 4.900 2.786 ( 9.741 0.000 3.546) 10.367 3.004 ( 10.101 0.000 6.758) 12.154 3.272 ( -9.494 0.000 -0.430) 9.504 3.867 ( -0.463 0.000 21.719) 21.724 3.922 ( 1.725 0.000 1.384) 2.211 3.966 ( -11.938 0.000 12.956) 17.617 4.321 ( -0.719 0.000 13.506) 13.525 4.495 ( 16.575 0.000 -0.435) 16.581 4.786 ( -8.343 0.000 -20.953) 22.552 4.824 ( -7.139 0.000 -5.521) 9.025 4.954 ( 4.089 0.000 4.348) 5.968 5.302 ( -13.412 0.000 -1.241) 13.469 5.514 ( -7.987 0.000 8.366) 11.566 5.648 ( -9.125 0.000 -7.222) 11.637 5.734 ( -8.183 0.000 12.007) 14.531 5.754 ( -1.106 0.000 6.263) 6.360 5.906 ( -2.927 0.000 5.488) 6.220 5.933 ( 0.963 0.000 8.346) 8.401 5.979 ( -0.919 0.000 0.173) 0.935 6.463 ( -0.722 0.000 0.829) 1.099 6.625 ( 6.316 0.000 -4.411) 7.704 6.718 ( -4.508 0.000 -8.338) 9.478 6.790 ( -1.902 0.000 1.196) 2.247 6.997 ( 6.556 0.000 -2.668) 7.078 7.156 ( 1.167 0.000 1.893) 2.224 7.254 ( -0.913 0.000 -7.077) 7.136 7.301 ( -1.715 0.000 -2.664) 3.168 7.509 ( -6.592 0.000 2.512) 7.055 7.539 ( -8.253 0.000 3.897) 9.127 7.928 ( 5.560 0.000 -14.286) 15.330 7.976 ( 4.412 0.000 -2.153) 4.910 8.104 ( -2.424 0.000 -12.741) 12.970 8.116 ( 4.187 0.000 -5.200) 6.676 8.262 ( 17.172 0.000 6.573) 18.387 8.441 ( 0.880 0.000 -21.479) 21.497 8.675 ( -1.416 0.000 2.372) 2.763 9.052 ( -6.993 0.000 4.279) 8.199 9.668 ( 1.527 0.000 -9.997) 10.113 9.753 ( 5.469 0.000 9.242) 10.739 10.136 ( -0.216 0.000 -1.143) 1.163 10.138 ( -0.099 0.000 -1.546) 1.549 10.277 ( 2.490 0.000 5.008) 5.593 10.570 ( -1.612 0.000 -3.794) 4.122 10.952 ( -1.354 0.000 -4.940) 5.122 10.973 ( -2.256 0.000 -1.708) 2.829 11.052 ( 2.493 0.000 -6.644) 7.096 11.150 ( 2.770 0.000 -4.688) 5.446 11.584 ( -4.802 0.000 6.225) 7.862 11.592 ( 0.556 0.000 2.433) 2.496 11.837 ( 12.957 0.000 -9.856) 16.280 12.068 ( 9.021 0.000 1.053) 9.082 12.529 ( -5.172 0.000 -4.269) 6.706 12.749 ( -11.312 0.000 9.851) 15.000 12.784 ( 4.992 0.000 -2.398) 5.538 13.176 ( -3.303 0.000 -4.805) 5.831 13.450 ( 1.381 0.000 2.529) 2.881 13.564 ( -1.499 0.000 2.179) 2.645 13.947 ( 8.583 0.000 -12.936) 15.524 13.985 ( 1.478 0.000 -5.829) 6.014 15.563 ( 7.665 0.000 -3.301) 8.346 15.700 ( -4.364 0.000 6.247) 7.621 16.049 ( 4.347 0.000 4.203) 6.046 16.196 ( 0.228 0.000 -3.078) 3.086 16.250 ( 0.343 0.000 -0.733) 0.809 16.572 ( 9.350 0.000 -4.203) 10.251 16.599 ( -3.762 0.000 -1.773) 4.159 17.004 ( -4.163 0.000 -11.662) 12.383 17.330 ( -1.561 0.000 4.566) 4.825 17.490 ( -8.908 0.000 10.245) 13.576 17.581 ( 3.483 0.000 7.279) 8.069 17.829 ( -11.006 0.000 11.982) 16.270 25.068 ( 0.715 0.000 1.856) 1.989 25.130 ( -0.461 0.000 1.128) 1.219 25.274 ( 0.629 0.000 -1.161) 1.320 25.376 ( -1.763 0.000 -1.601) 2.381 26.238 ( -1.611 0.000 3.425) 3.786 26.307 ( -1.477 0.000 0.262) 1.500 26.475 ( -0.702 0.000 0.925) 1.161 26.555 ( -0.718 0.000 -5.449) 5.496 26.641 ( 1.628 0.000 -1.763) 2.400 26.664 ( -0.350 0.000 -0.722) 0.803 26.773 ( 0.300 0.000 -1.682) 1.708 26.797 ( -1.945 0.000 -0.162) 1.952 27.755 ( 0.905 0.000 13.488) 13.518 27.948 ( -8.144 0.000 13.707) 15.944 29.143 ( 10.802 0.000 -15.188) 18.637 29.201 ( 1.241 0.000 -7.175) 7.281 ======================= Grid point 47 (18/60) ======================= q-point: ( 0.40 0.00 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.229 ( 28.228 0.000 -5.704) 28.799 1.294 ( 14.259 0.000 22.755) 26.854 1.566 ( -6.687 0.000 12.165) 13.882 1.776 ( -21.073 0.000 -16.605) 26.829 2.263 ( 2.364 0.000 3.125) 3.919 2.320 ( -3.299 0.000 7.619) 8.303 2.689 ( 0.914 0.000 -3.276) 3.402 2.705 ( -1.363 0.000 -4.341) 4.550 2.923 ( 35.481 0.000 42.766) 55.568 3.024 ( 13.233 0.000 23.915) 27.332 3.173 ( 4.457 0.000 -2.974) 5.358 3.206 ( 1.691 0.000 -4.874) 5.159 3.673 ( -9.620 0.000 18.226) 20.609 3.846 ( -15.837 0.000 20.415) 25.837 4.019 ( 10.908 0.000 12.754) 16.782 4.207 ( -8.863 0.000 11.601) 14.599 4.591 ( -4.333 0.000 -18.477) 18.978 4.627 ( -9.938 0.000 -9.558) 13.788 4.835 ( 12.423 0.000 -5.747) 13.687 5.012 ( -5.774 0.000 -4.403) 7.261 5.159 ( 6.787 0.000 2.967) 7.407 5.359 ( -7.255 0.000 13.427) 15.262 5.423 ( -11.608 0.000 1.433) 11.696 5.477 ( -12.331 0.000 11.171) 16.639 5.790 ( 2.602 0.000 8.062) 8.471 5.842 ( -3.089 0.000 6.789) 7.459 5.975 ( 1.535 0.000 5.743) 5.944 5.983 ( 0.378 0.000 1.841) 1.879 6.572 ( 10.336 0.000 0.338) 10.342 6.676 ( 0.436 0.000 -3.468) 3.496 6.685 ( -1.532 0.000 -4.100) 4.377 6.749 ( -3.769 0.000 1.779) 4.168 7.093 ( 3.667 0.000 -5.712) 6.788 7.137 ( -2.341 0.000 -5.074) 5.588 7.229 ( -1.449 0.000 -7.219) 7.362 7.240 ( -3.198 0.000 -2.363) 3.976 7.417 ( -1.618 0.000 1.194) 2.011 7.432 ( -3.314 0.000 3.253) 4.644 8.040 ( 3.006 0.000 -5.930) 6.648 8.040 ( 3.924 0.000 -10.386) 11.103 8.115 ( 1.173 0.000 -11.184) 11.245 8.137 ( -1.003 0.000 -10.424) 10.472 8.478 ( 5.130 0.000 -16.075) 16.874 8.561 ( 4.840 0.000 2.915) 5.650 8.655 ( 6.625 0.000 -2.815) 7.199 8.882 ( -11.688 0.000 5.040) 12.728 9.725 ( 4.749 0.000 -3.077) 5.658 9.800 ( -1.494 0.000 2.184) 2.646 10.110 ( -0.816 0.000 -1.823) 1.998 10.126 ( -1.366 0.000 -2.241) 2.624 10.381 ( 8.018 0.000 6.308) 10.202 10.511 ( -5.297 0.000 0.463) 5.317 10.933 ( -0.806 0.000 0.211) 0.833 10.935 ( -1.283 0.000 -0.678) 1.451 11.095 ( 2.801 0.000 -7.072) 7.606 11.151 ( -2.464 0.000 -6.453) 6.908 11.553 ( 1.242 0.000 2.071) 2.414 11.589 ( -1.453 0.000 2.068) 2.527 12.045 ( 10.226 0.000 -9.966) 14.279 12.169 ( -0.865 0.000 -4.397) 4.481 12.473 ( 1.649 0.000 1.178) 2.026 12.581 ( -8.032 0.000 7.815) 11.206 12.893 ( 7.054 0.000 0.386) 7.065 13.041 ( -8.922 0.000 -0.436) 8.932 13.487 ( 2.587 0.000 2.215) 3.406 13.534 ( -2.253 0.000 1.864) 2.924 14.016 ( 1.634 0.000 -9.785) 9.921 14.027 ( 1.083 0.000 -13.733) 13.775 15.617 ( 0.081 0.000 0.492) 0.499 15.633 ( -2.382 0.000 4.631) 5.207 16.126 ( 3.749 0.000 3.141) 4.891 16.179 ( -1.946 0.000 0.872) 2.132 16.344 ( 8.262 0.000 -4.943) 9.628 16.495 ( -7.447 0.000 -3.989) 8.448 16.751 ( 9.464 0.000 -6.893) 11.708 16.901 ( -6.976 0.000 -9.180) 11.530 17.314 ( 0.152 0.000 7.694) 7.695 17.352 ( -4.684 0.000 12.557) 13.403 17.647 ( 3.601 0.000 7.666) 8.470 17.713 ( -3.949 0.000 9.207) 10.018 25.092 ( 1.569 0.000 1.590) 2.234 25.117 ( -1.047 0.000 1.292) 1.663 25.295 ( 1.742 0.000 -1.350) 2.204 25.335 ( -2.490 0.000 -1.519) 2.916 26.239 ( 1.353 0.000 2.229) 2.608 26.273 ( -2.096 0.000 0.836) 2.256 26.493 ( 2.013 0.000 -1.578) 2.558 26.532 ( -1.871 0.000 -3.841) 4.272 26.657 ( 0.304 0.000 -0.627) 0.697 26.659 ( -0.152 0.000 -0.732) 0.748 26.777 ( 0.092 0.000 -0.771) 0.777 26.779 ( -0.301 0.000 -0.647) 0.714 27.784 ( 2.396 0.000 12.568) 12.794 27.843 ( -4.178 0.000 12.508) 13.187 29.227 ( 1.378 0.000 -8.474) 8.586 29.235 ( 1.143 0.000 -11.366) 11.423 ======================= Grid point 50 (19/60) ======================= q-point: ( 0.00 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.877 ( 0.000 23.173 20.124) 30.691 1.004 ( 0.000 10.332 37.111) 38.522 1.835 ( 0.000 11.794 11.570) 16.522 2.100 ( 0.000 39.025 48.268) 62.071 2.107 ( 0.000 1.501 -3.114) 3.457 2.272 ( 0.000 15.228 15.352) 21.623 2.363 ( 0.000 -8.613 1.147) 8.689 2.698 ( 0.000 18.365 1.995) 18.473 2.874 ( 0.000 2.868 5.859) 6.523 3.116 ( 0.000 15.692 -6.205) 16.874 3.258 ( 0.000 6.783 -19.679) 20.816 3.439 ( 0.000 1.185 8.438) 8.520 3.732 ( 0.000 -9.963 17.748) 20.354 3.828 ( 0.000 -0.521 -13.983) 13.993 4.214 ( 0.000 5.075 17.723) 18.435 4.381 ( 0.000 5.954 15.544) 16.646 4.396 ( 0.000 15.477 -11.308) 19.168 4.769 ( 0.000 -10.104 -12.208) 15.847 4.828 ( 0.000 -0.975 -10.207) 10.254 4.982 ( 0.000 2.839 -1.970) 3.456 5.265 ( 0.000 -17.757 -0.126) 17.757 5.381 ( 0.000 -9.647 2.084) 9.870 5.602 ( 0.000 -7.492 -2.973) 8.060 5.611 ( 0.000 -5.156 4.582) 6.898 5.885 ( 0.000 -0.670 7.875) 7.903 5.925 ( 0.000 -2.443 3.179) 4.009 6.081 ( 0.000 3.184 3.950) 5.074 6.088 ( 0.000 3.422 7.775) 8.495 6.427 ( 0.000 2.532 -0.414) 2.566 6.654 ( 0.000 -11.836 -0.980) 11.877 6.655 ( 0.000 0.968 1.473) 1.763 6.885 ( 0.000 7.900 -10.232) 12.927 6.960 ( 0.000 -3.978 -5.440) 6.739 7.044 ( 0.000 -1.960 3.102) 3.669 7.275 ( 0.000 0.473 -8.727) 8.740 7.312 ( 0.000 0.204 -2.745) 2.753 7.563 ( 0.000 0.894 -1.966) 2.160 7.634 ( 0.000 -13.757 0.947) 13.790 7.733 ( 0.000 1.343 7.122) 7.247 7.786 ( 0.000 -2.368 7.167) 7.548 8.020 ( 0.000 -4.046 -3.253) 5.192 8.090 ( 0.000 -0.399 -10.404) 10.412 8.235 ( 0.000 -2.840 -0.747) 2.936 8.361 ( 0.000 1.451 -20.047) 20.099 8.706 ( 0.000 2.611 4.781) 5.447 9.095 ( 0.000 -3.104 -2.328) 3.880 9.580 ( 0.000 -4.949 -8.373) 9.726 9.601 ( 0.000 -6.249 7.352) 9.649 10.140 ( 0.000 -0.774 3.781) 3.860 10.201 ( 0.000 -1.229 -0.869) 1.505 10.247 ( 0.000 3.676 -0.094) 3.677 10.594 ( 0.000 0.219 -0.980) 1.004 10.915 ( 0.000 -7.692 -1.198) 7.785 10.956 ( 0.000 -0.410 -2.423) 2.457 11.011 ( 0.000 2.159 -3.303) 3.946 11.299 ( 0.000 2.828 -10.883) 11.244 11.497 ( 0.000 -7.527 0.081) 7.527 11.678 ( 0.000 10.819 -2.891) 11.199 11.875 ( 0.000 12.829 -1.114) 12.877 11.960 ( 0.000 0.467 0.358) 0.588 12.646 ( 0.000 4.168 -2.168) 4.698 12.704 ( 0.000 -3.281 3.495) 4.794 12.938 ( 0.000 -3.459 -0.718) 3.532 13.074 ( 0.000 5.803 -0.629) 5.837 13.538 ( 0.000 -5.379 4.150) 6.794 13.671 ( 0.000 -7.797 -0.202) 7.800 13.762 ( 0.000 16.141 -14.801) 21.900 14.104 ( 0.000 10.037 -5.723) 11.554 15.427 ( 0.000 0.190 5.182) 5.185 15.713 ( 0.000 -2.921 7.303) 7.865 15.985 ( 0.000 -3.857 -0.899) 3.960 16.248 ( 0.000 6.780 -3.874) 7.808 16.295 ( 0.000 2.192 -1.623) 2.727 16.462 ( 0.000 -0.051 -3.916) 3.916 16.716 ( 0.000 5.460 -1.350) 5.624 17.024 ( 0.000 -2.338 -12.874) 13.085 17.273 ( 0.000 -5.366 7.853) 9.511 17.512 ( 0.000 -0.103 8.269) 8.270 17.634 ( 0.000 2.565 4.647) 5.308 17.790 ( 0.000 -10.633 15.671) 18.938 25.065 ( 0.000 0.782 1.621) 1.799 25.164 ( 0.000 2.167 0.475) 2.218 25.272 ( 0.000 0.245 -1.000) 1.029 25.399 ( 0.000 0.501 -1.477) 1.560 26.220 ( 0.000 0.486 2.939) 2.979 26.440 ( 0.000 5.161 -1.726) 5.442 26.513 ( 0.000 0.284 0.724) 0.778 26.545 ( 0.000 -0.818 -4.861) 4.929 26.624 ( 0.000 1.134 -3.228) 3.422 26.712 ( 0.000 3.400 2.039) 3.965 26.790 ( 0.000 2.259 -1.665) 2.806 26.919 ( 0.000 6.398 -1.673) 6.613 27.765 ( 0.000 2.158 11.084) 11.292 28.089 ( 0.000 -1.490 6.227) 6.402 28.822 ( 0.000 -5.734 -4.016) 7.001 29.159 ( 0.000 -4.929 -6.460) 8.126 ======================= Grid point 51 (20/60) ======================= q-point: ( 0.20 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 0.947 ( 17.339 23.114 5.702) 29.452 1.246 ( 14.572 16.485 24.806) 33.158 1.842 ( -4.530 13.030 9.288) 16.631 2.098 ( -2.230 5.647 -5.645) 8.290 2.176 ( 12.379 5.067 14.027) 19.382 2.434 ( 22.207 26.100 34.137) 48.370 2.585 ( 9.448 3.126 5.398) 11.322 2.710 ( 5.461 14.377 10.909) 18.855 2.852 ( -3.616 3.780 4.136) 6.669 3.053 ( -6.443 17.783 -4.306) 19.398 3.194 ( -1.858 8.962 -12.584) 15.560 3.384 ( -3.132 6.951 -0.614) 7.649 3.733 ( 3.329 -7.123 13.516) 15.637 3.872 ( 2.781 -6.797 2.768) 7.848 4.067 ( -11.542 7.567 13.160) 19.070 4.266 ( -4.999 3.227 14.494) 15.668 4.464 ( -3.737 -4.870 -1.693) 6.368 4.713 ( -3.272 -1.121 -12.873) 13.330 4.889 ( 1.681 -0.493 -8.584) 8.761 4.971 ( 0.371 -0.049 4.032) 4.049 5.157 ( -7.807 -9.409 -2.755) 12.533 5.413 ( -1.751 -10.124 1.261) 10.352 5.517 ( -6.900 -4.291 5.884) 10.032 5.616 ( -1.132 -6.979 3.938) 8.093 5.779 ( -10.663 -2.901 6.930) 13.044 5.880 ( -3.893 -4.578 2.178) 6.392 5.996 ( -6.244 1.338 9.872) 11.757 6.036 ( -3.447 4.944 7.236) 9.418 6.487 ( 3.768 2.340 -2.603) 5.143 6.609 ( 0.145 -4.306 -2.685) 5.076 6.689 ( 3.126 -1.442 -4.287) 5.498 6.818 ( -3.818 1.248 -6.507) 7.647 7.026 ( 2.149 -6.482 0.397) 6.841 7.074 ( 3.345 2.295 -1.692) 4.395 7.246 ( -1.912 -0.708 -4.985) 5.386 7.315 ( -1.511 1.231 -2.371) 3.069 7.494 ( -6.309 -1.918 2.435) 7.029 7.542 ( -7.770 -0.436 2.799) 8.270 7.743 ( 10.074 -8.018 -5.474) 13.991 7.957 ( 2.823 -4.118 -5.783) 7.641 8.070 ( -1.035 -2.143 -8.491) 8.818 8.143 ( 4.576 -0.144 -5.824) 7.408 8.254 ( 13.428 0.323 3.483) 13.877 8.415 ( 2.780 -2.177 -14.246) 14.677 8.716 ( 0.202 3.399 0.280) 3.416 9.048 ( -5.394 -0.961 1.621) 5.714 9.571 ( 1.800 -7.033 -4.202) 8.388 9.666 ( 3.825 -6.553 -0.723) 7.622 10.110 ( -3.764 -2.601 -0.220) 4.581 10.208 ( 1.427 1.838 2.256) 3.241 10.279 ( 2.911 1.145 1.652) 3.538 10.583 ( -1.591 -0.125 -1.393) 2.118 10.875 ( -1.935 -5.263 -2.726) 6.235 10.950 ( -1.201 -0.345 -2.821) 3.085 11.027 ( 1.737 0.970 -1.783) 2.671 11.220 ( -3.541 1.697 -6.871) 7.914 11.547 ( 0.341 -5.118 6.062) 7.941 11.672 ( -3.891 5.238 2.930) 7.153 11.865 ( 7.827 4.964 -10.479) 13.990 12.158 ( 12.186 6.284 -2.817) 13.997 12.618 ( -3.452 4.984 -1.989) 6.381 12.667 ( -2.808 -0.803 4.874) 5.682 12.926 ( 0.584 4.076 -1.092) 4.260 13.119 ( 0.976 -0.290 -1.780) 2.050 13.473 ( -4.912 -2.766 3.755) 6.773 13.575 ( -4.002 -0.379 0.100) 4.021 13.939 ( 9.739 4.771 -15.708) 19.088 14.131 ( 2.457 9.822 -8.266) 13.070 15.468 ( 3.052 -4.857 3.837) 6.901 15.691 ( -2.799 -2.201 4.150) 5.468 16.015 ( 2.368 -4.044 0.544) 4.717 16.199 ( -3.183 0.087 -2.757) 4.212 16.265 ( 0.002 5.122 -1.316) 5.288 16.545 ( 4.476 -0.220 -3.622) 5.762 16.709 ( 0.237 5.446 -2.335) 5.930 16.977 ( -4.296 -2.394 -10.371) 11.478 17.267 ( -0.604 -3.803 6.908) 7.909 17.518 ( -4.512 2.084 9.357) 10.595 17.583 ( 0.736 -0.221 10.216) 10.245 17.755 ( -2.410 -3.353 10.961) 11.713 25.074 ( 1.046 0.891 1.402) 1.963 25.155 ( -0.796 2.082 1.067) 2.471 25.278 ( 0.656 0.301 -0.980) 1.217 25.382 ( -1.756 0.512 -1.413) 2.311 26.232 ( 1.373 1.639 2.405) 3.218 26.408 ( -3.529 5.365 -1.046) 6.506 26.476 ( -0.587 0.478 0.338) 0.829 26.554 ( -0.306 0.260 -4.136) 4.155 26.659 ( 1.881 1.334 -2.472) 3.381 26.715 ( 0.333 3.702 0.973) 3.842 26.788 ( 0.204 2.553 -0.640) 2.640 26.909 ( -0.810 7.234 -1.152) 7.370 27.765 ( 0.185 1.755 10.389) 10.538 27.992 ( -6.738 2.742 9.819) 12.220 28.950 ( 8.656 -11.607 -8.845) 16.967 29.166 ( 0.563 -6.015 -6.620) 8.962 ======================= Grid point 52 (21/60) ======================= q-point: ( 0.40 0.11 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.390 ( 23.397 17.841 -7.424) 30.345 1.472 ( 10.735 16.049 11.671) 22.561 1.731 ( -4.349 15.415 9.807) 18.780 1.961 ( -15.286 15.572 -13.478) 25.647 2.416 ( 11.053 12.286 4.828) 17.217 2.547 ( -3.364 6.595 1.939) 7.653 2.657 ( -5.954 2.346 2.905) 7.028 2.749 ( -2.748 7.642 0.176) 8.123 3.032 ( 17.632 9.920 23.841) 31.268 3.154 ( 15.829 11.923 21.408) 29.172 3.235 ( 7.516 6.616 -8.004) 12.819 3.400 ( 2.585 9.292 2.665) 10.006 3.730 ( -8.680 4.696 16.518) 19.242 3.861 ( -1.597 0.365 10.967) 11.089 3.975 ( 2.304 -3.850 15.948) 16.568 4.147 ( -8.980 -0.599 11.659) 14.728 4.362 ( -4.203 -9.839 -5.641) 12.096 4.600 ( -5.728 -8.553 0.072) 10.295 4.849 ( -2.496 1.320 -1.601) 3.246 4.949 ( -6.832 -4.600 -6.649) 10.585 5.079 ( 2.534 -5.864 -1.985) 6.689 5.296 ( -8.716 -6.262 15.061) 18.493 5.416 ( 1.448 -1.257 -1.493) 2.431 5.549 ( -10.332 -0.767 -0.753) 10.387 5.682 ( 3.936 -3.729 7.068) 8.908 5.834 ( -1.160 -9.085 2.815) 9.582 5.928 ( -0.862 2.106 11.543) 11.766 5.985 ( -2.901 2.642 7.586) 8.540 6.544 ( 3.325 -5.848 -1.115) 6.819 6.678 ( 5.962 3.637 -1.551) 7.154 6.722 ( -3.089 -3.630 1.374) 4.960 6.776 ( -0.148 3.438 -3.896) 5.198 7.045 ( 0.912 -6.466 -4.710) 8.051 7.100 ( -1.322 -0.539 -2.680) 3.037 7.199 ( -1.695 0.167 -9.026) 9.185 7.292 ( -0.273 1.837 -3.049) 3.570 7.398 ( -3.271 0.177 0.873) 3.390 7.450 ( -2.522 0.473 1.421) 2.933 7.897 ( 4.074 -8.373 -8.501) 12.609 8.009 ( 3.506 -2.661 -5.556) 7.089 8.049 ( 0.415 -5.888 -10.308) 11.878 8.143 ( -2.539 -2.096 -7.133) 7.856 8.464 ( 2.794 -0.889 -13.534) 13.848 8.542 ( 9.855 -0.298 2.952) 10.292 8.729 ( 4.212 4.628 -1.959) 6.557 8.900 ( -10.415 1.129 3.530) 11.055 9.642 ( 4.452 -6.503 -4.262) 8.960 9.707 ( 0.539 -7.400 -4.286) 8.569 10.016 ( -4.736 -4.396 0.689) 6.498 10.219 ( 0.073 0.709 2.961) 3.045 10.378 ( 6.502 1.095 2.020) 6.896 10.531 ( -3.887 -0.268 -1.612) 4.217 10.867 ( 0.345 -1.511 -2.039) 2.561 10.922 ( -1.292 -0.535 -0.856) 1.639 11.055 ( 0.927 -2.511 -4.861) 5.549 11.186 ( -0.773 3.329 -3.181) 4.669 11.544 ( 1.129 -1.999 5.708) 6.153 11.597 ( -3.895 -0.437 4.315) 5.830 12.024 ( 6.533 2.163 -10.395) 12.467 12.322 ( 5.007 3.859 -3.552) 7.252 12.537 ( -3.747 5.896 2.158) 7.311 12.629 ( -1.376 6.947 1.249) 7.191 12.968 ( 3.681 3.314 -0.282) 4.961 13.068 ( -5.159 2.290 -0.690) 5.687 13.444 ( 1.682 -3.018 2.860) 4.485 13.503 ( -3.969 -2.539 1.771) 5.033 14.054 ( 3.157 6.521 -15.454) 17.068 14.168 ( 1.070 9.448 -11.576) 14.980 15.517 ( 2.930 -6.599 4.457) 8.485 15.605 ( -5.568 -3.177 3.903) 7.505 16.047 ( 1.170 -5.967 -3.269) 6.904 16.192 ( 0.102 -0.077 1.355) 1.361 16.310 ( 5.021 1.390 -1.894) 5.544 16.528 ( -4.586 0.951 -3.636) 5.930 16.776 ( 5.725 1.615 -4.895) 7.704 16.891 ( -4.834 -0.469 -8.198) 9.529 17.256 ( -0.385 -2.397 7.549) 7.930 17.420 ( -3.270 3.485 13.304) 14.136 17.646 ( 3.905 0.075 8.026) 8.925 17.710 ( -2.831 -0.086 8.228) 8.702 25.096 ( 1.016 0.632 0.859) 1.473 25.141 ( -0.619 2.066 1.765) 2.787 25.299 ( 1.700 0.365 -1.123) 2.070 25.341 ( -2.427 0.560 -1.203) 2.766 26.269 ( 2.415 3.402 0.802) 4.248 26.343 ( -3.101 4.629 0.482) 5.593 26.490 ( 1.545 0.567 -0.943) 1.897 26.534 ( -1.586 0.095 -2.549) 3.003 26.676 ( 0.276 1.787 -2.391) 2.997 26.719 ( 0.028 4.606 0.849) 4.684 26.802 ( 0.890 3.229 -1.025) 3.503 26.895 ( -0.592 7.518 0.212) 7.544 27.775 ( 0.666 0.709 8.791) 8.844 27.902 ( -2.841 4.234 11.327) 12.422 29.054 ( 2.750 -12.123 -10.174) 16.063 29.172 ( 0.066 -7.814 -6.433) 10.121 ======================= Grid point 55 (22/60) ======================= q-point: ( 0.00 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.294 ( 0.000 17.317 24.809) 30.255 1.620 ( 0.000 37.759 -4.076) 37.979 2.127 ( 0.000 14.884 4.396) 15.520 2.163 ( 0.000 -3.530 1.659) 3.900 2.367 ( 0.000 12.733 2.745) 13.025 2.504 ( 0.000 8.915 10.109) 13.478 2.744 ( 0.000 15.320 11.959) 19.435 2.978 ( 0.000 4.810 1.023) 4.918 3.004 ( 0.000 -2.224 9.223) 9.487 3.271 ( 0.000 -7.783 18.198) 19.792 3.383 ( 0.000 28.071 22.945) 36.255 3.436 ( 0.000 7.883 -10.213) 12.901 3.738 ( 0.000 11.641 3.769) 12.236 3.744 ( 0.000 -6.735 -9.007) 11.247 4.232 ( 0.000 -5.288 2.475) 5.839 4.491 ( 0.000 -2.061 5.352) 5.735 4.608 ( 0.000 4.507 12.438) 13.229 4.666 ( 0.000 4.048 -9.670) 10.483 4.826 ( 0.000 -6.750 -8.491) 10.847 4.949 ( 0.000 -1.154 3.434) 3.623 5.069 ( 0.000 0.105 -1.989) 1.991 5.185 ( 0.000 -9.427 -8.631) 12.782 5.393 ( 0.000 -12.497 -3.898) 13.091 5.477 ( 0.000 -2.455 -0.509) 2.507 5.785 ( 0.000 -6.746 8.101) 10.542 5.882 ( 0.000 -1.329 9.247) 9.342 6.094 ( 0.000 -3.136 10.271) 10.739 6.098 ( 0.000 -1.840 10.646) 10.804 6.426 ( 0.000 -5.019 -3.706) 6.239 6.515 ( 0.000 2.633 -3.329) 4.244 6.662 ( 0.000 1.361 -1.208) 1.820 6.749 ( 0.000 -11.565 -6.256) 13.148 7.030 ( 0.000 -2.765 1.273) 3.044 7.047 ( 0.000 6.025 -11.655) 13.120 7.283 ( 0.000 0.314 -6.879) 6.886 7.325 ( 0.000 0.785 -0.316) 0.846 7.435 ( 0.000 -4.640 2.051) 5.073 7.549 ( 0.000 -1.353 0.189) 1.366 7.760 ( 0.000 -0.804 5.285) 5.345 7.780 ( 0.000 1.214 2.204) 2.516 7.963 ( 0.000 -1.048 -0.262) 1.080 8.060 ( 0.000 -3.599 -6.634) 7.547 8.160 ( 0.000 -3.270 0.487) 3.306 8.354 ( 0.000 -0.296 -13.333) 13.336 8.765 ( 0.000 0.897 3.051) 3.180 8.952 ( 0.000 -9.871 -4.496) 10.847 9.420 ( 0.000 -9.896 -2.589) 10.229 9.547 ( 0.000 1.011 -4.222) 4.342 10.039 ( 0.000 -8.799 4.459) 9.864 10.126 ( 0.000 -6.852 -5.109) 8.547 10.314 ( 0.000 3.543 3.102) 4.709 10.585 ( 0.000 -0.621 7.349) 7.375 10.825 ( 0.000 -0.857 -2.577) 2.716 10.983 ( 0.000 3.170 0.200) 3.177 11.078 ( 0.000 3.914 -3.614) 5.327 11.285 ( 0.000 -1.786 -5.369) 5.658 11.351 ( 0.000 -5.437 0.523) 5.462 11.812 ( 0.000 2.292 -1.021) 2.509 11.976 ( 0.000 1.346 0.981) 1.666 12.127 ( 0.000 7.208 -9.272) 11.744 12.626 ( 0.000 -2.590 5.958) 6.497 12.713 ( 0.000 1.420 -1.279) 1.911 12.940 ( 0.000 0.954 -5.586) 5.667 13.091 ( 0.000 -5.574 -3.890) 6.797 13.439 ( 0.000 -2.101 4.036) 4.550 13.572 ( 0.000 -0.360 0.986) 1.050 14.028 ( 0.000 10.376 -10.969) 15.099 14.346 ( 0.000 11.674 -9.402) 14.990 15.467 ( 0.000 3.020 4.384) 5.324 15.698 ( 0.000 3.714 6.752) 7.706 15.882 ( 0.000 -4.729 -2.936) 5.566 16.324 ( 0.000 1.370 -2.814) 3.129 16.459 ( 0.000 10.476 -5.569) 11.864 16.460 ( 0.000 -0.044 -3.999) 4.000 16.816 ( 0.000 4.587 0.809) 4.658 16.959 ( 0.000 -2.783 -8.595) 9.035 17.204 ( 0.000 -1.210 7.576) 7.672 17.531 ( 0.000 0.797 7.396) 7.438 17.655 ( 0.000 -4.548 13.706) 14.441 17.657 ( 0.000 -0.574 4.780) 4.815 25.098 ( 0.000 2.166 0.373) 2.198 25.221 ( 0.000 3.241 0.904) 3.365 25.274 ( 0.000 -0.140 -0.703) 0.717 25.413 ( 0.000 0.714 -1.190) 1.387 26.261 ( 0.000 2.682 1.567) 3.106 26.524 ( 0.000 -1.367 -3.070) 3.361 26.534 ( 0.000 2.725 1.728) 3.227 26.544 ( 0.000 4.096 -1.600) 4.397 26.652 ( 0.000 1.616 -3.046) 3.448 26.796 ( 0.000 4.303 4.250) 6.048 26.855 ( 0.000 3.371 -1.588) 3.726 27.024 ( 0.000 2.331 1.916) 3.017 27.858 ( 0.000 6.537 2.714) 7.078 28.073 ( 0.000 1.130 7.099) 7.188 28.684 ( 0.000 -7.810 -5.964) 9.827 29.004 ( 0.000 -8.740 -4.086) 9.648 ======================= Grid point 56 (23/60) ======================= q-point: ( 0.20 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.481 ( 18.200 21.001 7.611) 28.813 1.749 ( 11.512 29.866 1.548) 32.045 2.121 ( 1.399 9.233 4.071) 10.187 2.217 ( 3.538 8.000 -0.348) 8.755 2.390 ( 5.849 13.281 2.911) 14.801 2.635 ( 6.416 4.251 6.013) 9.767 2.769 ( 3.079 10.561 6.040) 12.549 2.952 ( -0.451 2.800 3.954) 4.866 3.110 ( 6.418 -3.636 4.794) 8.797 3.293 ( 4.277 5.000 14.053) 15.517 3.389 ( 0.094 20.099 3.885) 20.472 3.482 ( 2.340 5.275 4.645) 7.408 3.655 ( 1.839 10.996 8.844) 14.231 3.785 ( -0.372 -0.063 -0.286) 0.473 4.192 ( -4.644 -1.124 7.474) 8.871 4.315 ( -12.369 3.796 1.132) 12.988 4.529 ( -7.959 1.689 7.378) 10.983 4.620 ( -9.351 3.105 -2.036) 10.061 4.766 ( -2.413 -11.173 -6.182) 12.995 4.964 ( -1.700 -7.184 -0.516) 7.400 5.016 ( -1.142 -2.487 2.702) 3.846 5.258 ( 2.716 -3.929 1.160) 4.916 5.386 ( -5.878 -4.813 4.500) 8.830 5.495 ( 4.925 -5.903 -4.868) 9.099 5.705 ( -6.691 -5.348 4.371) 9.617 5.760 ( -11.963 -0.706 7.808) 14.303 6.029 ( -4.600 -1.732 12.075) 13.037 6.072 ( -2.554 0.053 8.778) 9.142 6.399 ( -2.530 -4.337 -3.165) 5.935 6.562 ( 3.101 -2.414 -0.191) 3.935 6.658 ( 0.005 -4.439 -1.443) 4.668 6.782 ( 5.005 -2.691 -12.675) 13.891 6.899 ( -5.945 -3.345 2.243) 7.180 7.106 ( 2.303 -0.872 -5.583) 6.102 7.226 ( -3.571 -1.711 -1.319) 4.174 7.389 ( -0.458 4.867 -3.668) 6.111 7.410 ( -1.486 -2.755 1.129) 3.328 7.556 ( -2.312 1.157 0.483) 2.631 7.668 ( 3.300 -1.930 -1.740) 4.200 7.861 ( 0.333 -4.191 -5.971) 7.303 8.010 ( -2.603 -4.694 -5.698) 7.828 8.110 ( 1.660 -1.904 -6.766) 7.222 8.221 ( 13.664 -2.393 8.282) 16.156 8.412 ( 6.179 2.349 -10.727) 12.600 8.767 ( 0.260 -0.493 2.263) 2.331 8.972 ( -0.196 -6.474 -0.764) 6.522 9.413 ( 1.335 -8.070 -3.785) 9.013 9.557 ( 0.459 -2.656 -8.134) 8.569 9.992 ( -4.282 -8.432 2.494) 9.780 10.130 ( -0.672 -7.715 0.193) 7.747 10.344 ( 3.461 3.733 2.238) 5.561 10.561 ( -2.473 -0.978 3.160) 4.130 10.833 ( 1.714 -0.231 -4.521) 4.840 10.977 ( -1.092 3.406 0.683) 3.641 11.082 ( -0.334 3.690 -1.603) 4.037 11.222 ( -1.406 -0.891 -4.048) 4.377 11.424 ( 3.349 -4.528 3.266) 6.511 11.773 ( -6.416 4.177 3.114) 8.265 11.948 ( 3.876 2.061 -4.611) 6.367 12.245 ( 6.430 0.652 -5.437) 8.445 12.616 ( -0.110 -1.098 2.520) 2.751 12.751 ( 2.676 2.256 -0.657) 3.561 12.920 ( -0.558 -1.785 -3.930) 4.352 13.108 ( -0.081 -5.153 -3.406) 6.177 13.424 ( -0.747 0.462 3.747) 3.849 13.579 ( -0.517 3.906 0.281) 3.950 14.075 ( 5.766 6.013 -12.114) 14.702 14.361 ( 0.918 10.816 -11.328) 15.689 15.446 ( -1.616 2.625 4.883) 5.775 15.649 ( -4.458 0.124 5.170) 6.827 15.925 ( 2.837 -3.216 -3.202) 5.352 16.225 ( -5.860 1.448 -3.094) 6.783 16.433 ( -1.430 9.756 -3.347) 10.412 16.549 ( 3.974 0.808 -3.318) 5.240 16.793 ( -1.428 3.003 -0.035) 3.326 16.934 ( -2.059 -0.716 -6.966) 7.299 17.220 ( 1.142 -0.764 6.057) 6.211 17.546 ( -5.260 -0.877 12.881) 13.941 17.573 ( 2.950 -0.095 7.182) 7.765 17.710 ( 1.075 -2.157 7.056) 7.457 25.106 ( 0.812 2.026 0.227) 2.194 25.212 ( -0.921 3.180 1.368) 3.582 25.282 ( 0.878 0.010 -0.704) 1.125 25.396 ( -1.717 0.729 -1.065) 2.148 26.289 ( 2.860 3.194 1.165) 4.443 26.483 ( -1.900 1.693 -1.221) 2.823 26.526 ( -1.322 4.423 0.519) 4.646 26.570 ( 0.311 1.196 -2.738) 3.003 26.685 ( 3.118 1.018 -2.770) 4.293 26.794 ( 0.241 3.744 3.002) 4.805 26.859 ( 0.347 3.503 -0.010) 3.520 27.022 ( -0.264 2.545 2.529) 3.597 27.850 ( -0.743 6.078 2.328) 6.551 28.044 ( -2.607 3.076 7.518) 8.531 28.727 ( 3.947 -9.857 -7.093) 12.769 28.991 ( -1.394 -9.529 -4.000) 10.428 ======================= Grid point 57 (24/60) ======================= q-point: ( 0.40 0.22 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.843 ( 17.286 21.621 -4.039) 27.975 1.928 ( 5.912 23.237 2.328) 24.090 2.137 ( 0.781 19.124 3.163) 19.400 2.267 ( -1.191 8.021 -7.218) 10.856 2.540 ( 3.352 3.782 -2.719) 5.739 2.665 ( 3.291 12.104 -0.458) 12.552 2.771 ( 1.122 5.155 0.645) 5.315 2.951 ( -6.212 6.969 7.909) 12.236 3.169 ( 2.320 -4.585 -2.097) 5.550 3.336 ( -1.134 13.813 -3.658) 14.334 3.419 ( 4.482 -3.690 3.349) 6.702 3.576 ( 4.069 11.707 6.599) 14.041 3.754 ( 9.769 -0.227 19.520) 21.829 3.884 ( 4.872 6.868 15.808) 17.911 4.038 ( -4.456 9.493 7.688) 13.003 4.185 ( -6.670 4.817 7.077) 10.853 4.360 ( -3.029 1.404 2.331) 4.072 4.507 ( -3.803 7.587 10.027) 13.137 4.717 ( -4.153 -13.093 0.422) 13.743 4.891 ( -1.747 -5.954 2.752) 6.787 4.968 ( -6.904 -0.915 1.309) 7.086 5.123 ( -11.669 -9.595 13.912) 20.537 5.321 ( 2.496 -4.158 4.111) 6.358 5.464 ( -9.577 -3.745 0.526) 10.297 5.623 ( 3.922 -3.447 -3.061) 6.052 5.687 ( -1.740 -3.612 -1.492) 4.278 5.984 ( 1.985 3.030 9.255) 9.939 6.052 ( -2.017 -0.073 9.984) 10.186 6.376 ( 1.697 -7.266 0.939) 7.521 6.580 ( -4.186 -6.904 1.193) 8.162 6.691 ( 5.703 -4.084 0.311) 7.022 6.785 ( -3.547 -5.150 -1.230) 6.373 6.934 ( 6.066 -1.525 -8.667) 10.688 7.076 ( -5.087 -0.971 -0.994) 5.274 7.218 ( 2.328 -0.290 -7.726) 8.075 7.339 ( -2.507 2.386 -5.298) 6.329 7.407 ( 1.128 0.182 0.682) 1.330 7.467 ( -5.492 1.452 -0.682) 5.722 7.761 ( 3.564 -4.684 -6.617) 8.856 7.881 ( 0.766 -7.510 -5.456) 9.314 7.979 ( 1.384 -1.981 -5.600) 6.099 8.067 ( -4.119 -3.127 -5.441) 7.507 8.438 ( 5.982 -1.227 -6.007) 8.566 8.562 ( 7.570 1.001 0.208) 7.638 8.783 ( 2.502 -0.614 3.885) 4.661 8.902 ( -6.452 -1.449 1.352) 6.750 9.489 ( 5.352 -7.713 -8.818) 12.880 9.553 ( -1.162 -6.165 -12.387) 13.885 9.907 ( -3.860 -6.007 5.309) 8.898 10.104 ( -1.251 -8.923 5.806) 10.719 10.427 ( 4.803 1.021 -1.691) 5.194 10.511 ( -3.022 0.702 -2.239) 3.826 10.876 ( 1.728 -1.065 -5.143) 5.529 10.955 ( -0.570 3.558 0.906) 3.716 11.050 ( -2.001 3.055 -1.783) 4.064 11.246 ( 1.837 0.304 2.859) 3.412 11.471 ( 2.450 -0.923 2.287) 3.477 11.646 ( -5.723 4.212 5.329) 8.882 12.056 ( 5.207 0.231 -6.017) 7.960 12.294 ( -0.335 -3.676 0.631) 3.745 12.629 ( 0.989 0.701 -2.416) 2.703 12.781 ( 0.683 1.978 -1.415) 2.526 12.933 ( 1.089 -2.784 -3.012) 4.244 13.079 ( -1.849 -4.828 -0.702) 5.217 13.440 ( 2.596 3.622 2.680) 5.200 13.530 ( -4.069 8.323 0.995) 9.318 14.215 ( 7.568 5.654 -14.946) 17.681 14.350 ( -2.516 6.551 -13.695) 15.389 15.439 ( 1.260 1.010 4.905) 5.164 15.551 ( -5.318 -0.752 6.519) 8.446 15.946 ( 0.056 -3.029 -8.855) 9.359 16.185 ( 0.356 -0.234 -1.535) 1.593 16.422 ( 0.872 8.481 0.555) 8.544 16.546 ( -3.233 1.872 -0.984) 3.864 16.801 ( 1.745 1.043 -2.587) 3.290 16.902 ( -1.238 1.678 -6.250) 6.589 17.234 ( 0.352 -0.034 5.460) 5.472 17.463 ( -2.584 0.231 14.709) 14.937 17.646 ( 3.880 -0.575 6.902) 7.939 17.701 ( -1.870 -1.258 6.728) 7.096 25.122 ( 0.637 1.751 -0.161) 1.871 25.196 ( -0.615 2.963 2.142) 3.708 25.307 ( 1.725 0.263 -0.972) 1.997 25.357 ( -2.244 0.818 -0.637) 2.472 26.355 ( 4.011 4.271 0.118) 5.860 26.437 ( -3.313 4.208 -0.501) 5.379 26.520 ( 0.937 2.038 -0.260) 2.258 26.553 ( -1.647 1.951 -1.653) 3.041 26.724 ( 0.843 2.465 -3.125) 4.069 26.811 ( 0.970 3.381 2.320) 4.214 26.867 ( 0.531 2.447 0.165) 2.510 27.015 ( -0.391 3.003 4.092) 5.091 27.838 ( -0.360 5.123 1.670) 5.400 28.002 ( -1.430 5.358 7.920) 9.668 28.793 ( 2.506 -11.591 -8.903) 14.829 28.962 ( -1.297 -10.973 -3.398) 11.560 ======================= Grid point 60 (25/60) ======================= q-point: ( 0.00 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.715 ( 0.000 21.750 14.032) 25.884 2.064 ( 0.000 -4.259 10.486) 11.318 2.140 ( 0.000 5.412 -2.388) 5.915 2.402 ( 0.000 9.792 0.491) 9.804 2.552 ( 0.000 0.506 4.302) 4.331 2.663 ( 0.000 11.832 2.318) 12.057 2.951 ( 0.000 2.805 12.055) 12.377 2.952 ( 0.000 -3.121 -0.152) 3.125 3.078 ( 0.000 11.852 -5.370) 13.012 3.220 ( 0.000 4.734 14.499) 15.253 3.487 ( 0.000 -6.021 -4.400) 7.457 3.588 ( 0.000 7.792 -10.246) 12.873 3.951 ( 0.000 1.874 -2.224) 2.908 4.026 ( 0.000 9.227 26.620) 28.174 4.238 ( 0.000 5.577 -4.064) 6.901 4.376 ( 0.000 0.373 6.097) 6.109 4.441 ( 0.000 -19.701 2.816) 19.901 4.726 ( 0.000 11.511 5.617) 12.808 4.852 ( 0.000 10.889 8.563) 13.853 4.977 ( 0.000 -6.935 -5.463) 8.828 5.078 ( 0.000 4.912 -3.520) 6.043 5.129 ( 0.000 -4.842 -2.203) 5.320 5.168 ( 0.000 3.500 3.034) 4.632 5.478 ( 0.000 0.215 1.901) 1.914 5.676 ( 0.000 -5.282 14.688) 15.609 5.788 ( 0.000 -5.284 4.972) 7.255 5.977 ( 0.000 -9.224 -1.657) 9.372 5.999 ( 0.000 -6.276 7.618) 9.870 6.493 ( 0.000 5.284 -6.197) 8.144 6.545 ( 0.000 0.938 -2.777) 2.931 6.564 ( 0.000 -1.161 -4.992) 5.125 6.741 ( 0.000 5.824 -5.556) 8.049 6.942 ( 0.000 -4.300 4.360) 6.124 7.106 ( 0.000 -0.103 -6.287) 6.288 7.264 ( 0.000 -1.989 -7.872) 8.119 7.317 ( 0.000 -1.740 -1.594) 2.360 7.430 ( 0.000 3.045 -0.513) 3.088 7.518 ( 0.000 -2.709 -4.456) 5.214 7.710 ( 0.000 -5.255 2.895) 6.000 7.760 ( 0.000 -2.727 -1.275) 3.011 7.932 ( 0.000 -2.167 0.938) 2.361 7.944 ( 0.000 -4.360 -1.791) 4.713 8.177 ( 0.000 4.722 0.966) 4.820 8.409 ( 0.000 4.273 1.712) 4.603 8.683 ( 0.000 -7.992 2.628) 8.413 8.721 ( 0.000 -11.549 2.773) 11.877 9.250 ( 0.000 -4.905 -8.356) 9.689 9.565 ( 0.000 -0.428 -5.724) 5.740 9.822 ( 0.000 -10.433 3.894) 11.136 9.936 ( 0.000 -9.738 -4.080) 10.558 10.398 ( 0.000 3.948 5.149) 6.488 10.564 ( 0.000 -1.551 6.761) 6.936 10.839 ( 0.000 1.893 -5.967) 6.260 11.056 ( 0.000 1.090 -5.426) 5.534 11.165 ( 0.000 5.219 -0.434) 5.237 11.262 ( 0.000 -0.237 -2.953) 2.962 11.298 ( 0.000 1.166 3.909) 4.079 11.784 ( 0.000 -4.882 -0.624) 4.921 12.022 ( 0.000 2.981 0.648) 3.050 12.183 ( 0.000 -0.083 -4.053) 4.054 12.604 ( 0.000 -0.085 0.917) 0.921 12.704 ( 0.000 -1.751 0.194) 1.761 12.901 ( 0.000 -4.312 -4.238) 6.046 12.919 ( 0.000 -8.407 -5.313) 9.945 13.488 ( 0.000 5.334 1.041) 5.435 13.607 ( 0.000 2.144 0.353) 2.172 14.227 ( 0.000 8.912 -6.932) 11.290 14.523 ( 0.000 4.086 -8.653) 9.570 15.542 ( 0.000 4.528 -1.221) 4.690 15.799 ( 0.000 -3.323 -5.479) 6.408 15.894 ( 0.000 13.251 3.525) 13.712 16.335 ( 0.000 -0.344 -3.903) 3.918 16.468 ( 0.000 1.007 -1.721) 1.994 16.629 ( 0.000 4.068 -1.868) 4.476 16.949 ( 0.000 2.441 -2.437) 3.450 16.954 ( 0.000 9.176 0.336) 9.182 17.201 ( 0.000 0.852 5.193) 5.263 17.511 ( 0.000 -3.018 5.915) 6.641 17.547 ( 0.000 -6.176 11.524) 13.075 17.605 ( 0.000 -4.364 4.239) 6.084 25.149 ( 0.000 2.537 -0.422) 2.572 25.265 ( 0.000 -0.792 -0.427) 0.900 25.295 ( 0.000 3.565 0.855) 3.666 25.422 ( 0.000 0.019 -0.857) 0.858 26.319 ( 0.000 2.727 0.558) 2.784 26.485 ( 0.000 -2.300 -1.710) 2.866 26.595 ( 0.000 3.404 -0.781) 3.492 26.645 ( 0.000 4.992 1.010) 5.093 26.689 ( 0.000 1.660 -3.437) 3.817 26.878 ( 0.000 3.213 5.298) 6.197 26.902 ( 0.000 0.476 -0.049) 0.478 27.011 ( 0.000 -2.830 4.468) 5.289 27.988 ( 0.000 5.471 -1.019) 5.565 28.191 ( 0.000 9.852 3.950) 10.614 28.495 ( 0.000 -9.728 -5.261) 11.059 28.820 ( 0.000 -8.673 -2.876) 9.137 ======================= Grid point 61 (26/60) ======================= q-point: ( 0.20 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.873 ( 15.189 16.995 8.567) 24.350 2.063 ( 4.206 -1.090 -0.503) 4.374 2.294 ( 10.543 8.638 2.538) 13.864 2.443 ( 1.499 5.171 1.421) 5.568 2.532 ( 3.056 6.492 2.456) 7.584 2.731 ( 2.069 -4.555 1.083) 5.119 2.993 ( 4.176 8.933 -1.892) 10.041 3.024 ( 5.883 2.607 9.510) 11.482 3.092 ( 3.551 11.581 -4.278) 12.846 3.218 ( 0.251 0.338 12.557) 12.564 3.521 ( 2.916 1.231 -5.887) 6.684 3.597 ( 1.964 2.578 -3.751) 4.958 3.869 ( -5.712 3.254 2.811) 7.150 4.086 ( 2.796 3.467 17.062) 17.633 4.235 ( -2.676 10.332 -2.189) 10.895 4.365 ( 1.256 -0.030 8.227) 8.322 4.393 ( -2.775 -11.136 2.203) 11.686 4.632 ( -7.344 8.023 7.260) 13.077 4.769 ( -13.777 5.932 -3.377) 15.375 4.877 ( -8.003 0.902 4.090) 9.033 4.976 ( 2.906 -1.049 4.300) 5.295 5.149 ( -8.527 -4.078 7.043) 11.788 5.293 ( 7.100 -1.776 1.696) 7.513 5.464 ( 3.088 1.314 0.954) 3.489 5.633 ( -2.574 -1.395 4.090) 5.030 5.789 ( -4.539 -0.093 5.729) 7.309 5.892 ( -3.194 -8.229 8.711) 12.402 6.069 ( 1.040 -3.213 3.553) 4.902 6.399 ( -6.294 1.773 0.904) 6.602 6.518 ( -3.665 0.621 -5.186) 6.380 6.557 ( -2.110 -1.074 -4.870) 5.415 6.773 ( 2.681 1.720 -2.631) 4.131 6.849 ( -5.755 -1.419 -1.207) 6.049 7.065 ( 2.155 -2.532 -9.317) 9.893 7.178 ( -6.114 -2.311 4.182) 7.760 7.364 ( 0.424 -3.306 -0.474) 3.367 7.443 ( -1.347 -0.300 -5.691) 5.856 7.545 ( -2.801 -3.725 -7.656) 8.963 7.652 ( 1.950 0.950 0.205) 2.178 7.762 ( -0.249 -5.528 -1.327) 5.691 7.918 ( 1.180 -2.197 -3.035) 3.928 8.091 ( 0.874 0.250 -6.564) 6.627 8.203 ( 10.517 0.712 5.035) 11.682 8.486 ( 5.397 2.707 -0.150) 6.039 8.644 ( -0.008 -9.607 8.061) 12.541 8.807 ( 4.647 -8.260 1.103) 9.541 9.274 ( 2.856 -4.113 -9.360) 10.615 9.526 ( -3.656 -1.715 -7.658) 8.657 9.800 ( -1.339 -8.478 2.828) 9.037 9.946 ( 0.082 -8.598 0.163) 8.600 10.418 ( 1.711 3.128 3.726) 5.157 10.551 ( -1.318 -0.273 3.215) 3.485 10.817 ( -0.756 -0.768 -6.309) 6.400 11.053 ( -2.073 -0.455 -3.273) 3.901 11.132 ( -1.386 3.089 -0.783) 3.475 11.235 ( -0.938 2.734 1.572) 3.290 11.400 ( 7.737 2.513 1.546) 8.280 11.809 ( 0.494 -1.941 1.203) 2.337 11.990 ( -0.524 3.132 -1.467) 3.498 12.218 ( 2.027 -2.062 -2.255) 3.667 12.584 ( -0.947 -1.588 0.002) 1.849 12.710 ( -1.194 -4.658 -0.353) 4.822 12.864 ( 0.387 -4.058 -3.869) 5.620 12.958 ( 0.329 -6.642 -3.027) 7.306 13.511 ( 2.942 6.623 0.486) 7.263 13.693 ( 7.667 4.535 -1.777) 9.083 14.191 ( -2.385 5.911 -6.762) 9.293 14.514 ( -1.877 2.836 -10.050) 10.610 15.532 ( -0.702 4.898 0.049) 4.949 15.714 ( -6.755 3.445 0.404) 7.594 15.918 ( 0.703 3.768 -4.070) 5.591 16.247 ( -5.623 0.579 -3.267) 6.529 16.547 ( 5.157 2.275 0.488) 5.657 16.659 ( 1.869 6.881 -5.024) 8.722 16.857 ( -4.324 4.282 1.303) 6.223 16.984 ( -0.510 5.609 -2.522) 6.171 17.220 ( 1.599 0.861 4.898) 5.224 17.482 ( -3.798 -4.651 11.851) 13.285 17.547 ( 2.532 -3.126 5.883) 7.127 17.635 ( 1.451 -5.149 5.545) 7.705 25.155 ( 0.606 2.485 -0.549) 2.616 25.269 ( -0.001 0.216 0.151) 0.263 25.289 ( -0.045 2.500 0.566) 2.564 25.406 ( -1.643 0.065 -0.668) 1.775 26.355 ( 3.705 3.050 0.345) 4.811 26.502 ( 1.515 -0.210 -1.685) 2.276 26.597 ( -0.422 2.138 -0.730) 2.298 26.628 ( -1.496 4.620 -0.445) 4.876 26.710 ( 2.478 1.585 -1.933) 3.520 26.862 ( -1.018 2.278 2.967) 3.877 26.904 ( -0.326 0.267 1.896) 1.942 27.019 ( 0.730 -2.012 5.237) 5.658 27.978 ( -1.009 5.632 -1.585) 5.937 28.165 ( -2.349 8.165 4.217) 9.485 28.529 ( 3.232 -8.661 -5.762) 10.893 28.797 ( -2.367 -8.715 -2.832) 9.464 ======================= Grid point 62 (27/60) ======================= q-point: ( 0.40 0.33 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.157 ( 12.023 2.504 -1.827) 12.416 2.211 ( 10.466 6.751 -4.976) 13.412 2.355 ( -3.716 9.145 0.436) 9.881 2.453 ( -1.423 4.709 -0.498) 4.945 2.654 ( 5.638 4.866 -0.011) 7.448 2.725 ( 0.048 -4.130 -0.657) 4.182 3.005 ( -1.848 13.316 -6.296) 14.845 3.087 ( 1.482 1.773 8.741) 9.042 3.228 ( 5.563 3.860 0.123) 6.772 3.260 ( 4.526 6.066 2.147) 7.867 3.521 ( -3.516 4.271 1.968) 5.871 3.713 ( 8.252 3.138 -2.486) 9.172 3.805 ( 1.151 -0.211 5.646) 5.766 4.078 ( -7.192 11.255 4.886) 14.222 4.148 ( -0.612 0.524 4.009) 4.089 4.316 ( -0.920 1.049 2.051) 2.481 4.458 ( -7.575 0.907 5.683) 9.513 4.493 ( -1.514 0.909 10.602) 10.748 4.651 ( 7.382 4.943 5.268) 10.329 4.779 ( -0.331 -3.396 6.372) 7.228 4.900 ( -12.801 -8.335 9.508) 17.993 5.019 ( -2.358 2.611 8.701) 9.385 5.363 ( 3.000 8.348 10.417) 13.682 5.499 ( -8.592 2.785 -0.449) 9.044 5.564 ( -2.508 1.808 1.618) 3.490 5.680 ( 0.538 2.183 4.541) 5.067 5.900 ( 4.565 -7.197 9.806) 12.992 6.017 ( -5.626 -3.862 4.165) 7.994 6.330 ( -1.651 1.636 1.348) 2.687 6.479 ( -0.505 -3.481 -2.746) 4.463 6.545 ( -0.158 -6.253 -5.053) 8.041 6.701 ( -2.831 -0.564 4.756) 5.564 6.905 ( 4.386 -2.329 -8.154) 9.548 7.061 ( -4.998 -0.879 0.906) 5.155 7.173 ( 6.802 -2.885 -5.635) 9.292 7.339 ( -4.387 -3.899 -1.367) 6.027 7.385 ( -1.665 -1.181 -3.798) 4.312 7.484 ( -2.619 -1.444 -9.121) 9.599 7.674 ( 1.222 -4.137 -4.413) 6.171 7.777 ( -0.668 -1.955 1.556) 2.586 7.967 ( 4.273 1.638 -4.962) 6.750 8.048 ( -3.304 1.315 -6.107) 7.067 8.397 ( 7.242 -4.155 -0.343) 8.357 8.514 ( -1.695 -7.841 1.845) 8.231 8.713 ( 5.067 -3.320 6.662) 9.005 8.844 ( -0.436 -2.746 2.590) 3.799 9.351 ( 4.868 -4.904 -12.950) 14.678 9.454 ( -4.016 -3.854 -10.701) 12.062 9.789 ( -0.027 -4.552 4.690) 6.535 9.932 ( -1.029 -6.304 5.912) 8.703 10.434 ( 0.025 0.419 -3.059) 3.088 10.544 ( 0.524 1.350 0.997) 1.757 10.813 ( -0.278 -3.563 -6.041) 7.019 11.019 ( -0.580 0.494 0.686) 1.025 11.127 ( 0.512 3.191 -1.145) 3.428 11.203 ( -2.180 -1.382 3.093) 4.028 11.553 ( 7.861 6.829 1.214) 10.484 11.745 ( -5.871 4.402 4.040) 8.377 12.045 ( 4.081 -0.899 -4.082) 5.842 12.224 ( -1.003 -2.517 0.745) 2.810 12.587 ( 0.958 -3.372 -1.333) 3.750 12.668 ( -2.244 -7.882 -1.560) 8.342 12.896 ( 2.067 -4.201 -1.529) 4.925 12.934 ( -2.121 -5.764 -1.282) 6.274 13.592 ( 4.856 9.806 -2.022) 11.127 13.773 ( -0.458 11.603 -0.859) 11.644 14.229 ( 7.379 -3.026 -9.775) 12.616 14.426 ( -7.667 0.486 -11.022) 13.435 15.537 ( 1.692 5.793 2.439) 6.509 15.600 ( -5.155 5.318 3.247) 8.087 15.911 ( -0.733 -0.659 -10.401) 10.448 16.182 ( -1.558 -0.121 -2.920) 3.312 16.612 ( 2.160 6.640 1.102) 7.069 16.656 ( -1.767 10.429 -0.896) 10.616 16.831 ( 0.528 1.777 -1.757) 2.554 16.964 ( -0.891 4.130 -3.215) 5.309 17.243 ( 0.688 1.008 4.390) 4.556 17.427 ( -1.754 -3.376 13.653) 14.173 17.601 ( 2.717 -4.017 6.015) 7.726 17.641 ( -0.826 -4.613 6.038) 7.643 25.166 ( 0.502 2.397 -0.970) 2.634 25.257 ( -0.711 2.562 2.069) 3.369 25.307 ( 1.404 -0.206 -1.141) 1.821 25.371 ( -1.814 0.390 0.048) 1.856 26.440 ( 5.043 3.706 -0.189) 6.261 26.516 ( -1.306 3.241 -1.235) 3.706 26.566 ( -1.563 2.091 -0.730) 2.711 26.608 ( -0.729 2.854 -1.130) 3.155 26.764 ( 2.391 1.328 -1.583) 3.160 26.851 ( -0.134 0.766 2.749) 2.857 26.889 ( -0.905 -0.515 1.837) 2.112 27.030 ( 0.325 -1.027 6.512) 6.600 27.961 ( -0.627 5.870 -2.525) 6.421 28.127 ( -1.280 6.287 4.687) 7.946 28.590 ( 2.663 -7.567 -7.194) 10.775 28.748 ( -2.325 -9.006 -2.164) 9.549 ======================= Grid point 65 (28/60) ======================= q-point: ( 0.00 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.979 ( 0.000 1.509 9.033) 9.158 2.062 ( 0.000 -6.338 4.021) 7.506 2.209 ( 0.000 19.040 7.966) 20.639 2.459 ( 0.000 -4.279 -2.865) 5.150 2.524 ( 0.000 1.469 5.137) 5.343 2.706 ( 0.000 -10.352 8.536) 13.418 2.965 ( 0.000 6.198 2.074) 6.536 3.081 ( 0.000 2.321 7.227) 7.590 3.206 ( 0.000 4.281 -1.511) 4.540 3.304 ( 0.000 -0.985 7.330) 7.396 3.513 ( 0.000 7.666 -6.845) 10.277 3.679 ( 0.000 -3.922 -6.373) 7.483 3.961 ( 0.000 0.190 -5.343) 5.346 3.963 ( 0.000 -5.128 6.724) 8.456 4.195 ( 0.000 1.841 4.929) 5.262 4.248 ( 0.000 1.489 7.505) 7.652 4.569 ( 0.000 4.873 -1.331) 5.051 4.681 ( 0.000 -11.577 -0.718) 11.599 4.946 ( 0.000 3.762 3.655) 5.245 5.029 ( 0.000 1.183 1.591) 1.983 5.184 ( 0.000 10.319 4.378) 11.210 5.278 ( 0.000 8.692 15.170) 17.483 5.371 ( 0.000 10.527 5.261) 11.768 5.443 ( 0.000 -2.882 3.124) 4.250 5.532 ( 0.000 -6.501 11.440) 13.158 5.634 ( 0.000 -11.232 -1.181) 11.294 5.825 ( 0.000 -0.177 -2.070) 2.078 5.893 ( 0.000 -4.034 3.126) 5.103 6.519 ( 0.000 4.545 -5.895) 7.444 6.564 ( 0.000 0.858 -3.824) 3.919 6.692 ( 0.000 2.728 -5.127) 5.807 6.794 ( 0.000 -4.372 -8.144) 9.243 6.950 ( 0.000 7.343 2.903) 7.896 7.079 ( 0.000 -2.198 1.317) 2.562 7.235 ( 0.000 -0.123 -9.343) 9.343 7.269 ( 0.000 -2.640 -3.076) 4.053 7.448 ( 0.000 -0.956 -10.456) 10.500 7.509 ( 0.000 2.288 -4.752) 5.274 7.560 ( 0.000 -5.546 3.212) 6.409 7.649 ( 0.000 -6.919 -0.870) 6.973 7.922 ( 0.000 1.154 -1.276) 1.720 7.929 ( 0.000 1.144 2.113) 2.403 8.313 ( 0.000 5.390 0.787) 5.447 8.381 ( 0.000 -5.239 7.843) 9.432 8.520 ( 0.000 -4.617 13.626) 14.387 8.565 ( 0.000 -3.718 7.267) 8.163 9.259 ( 0.000 6.344 -9.154) 11.138 9.459 ( 0.000 -10.003 -6.976) 12.196 9.697 ( 0.000 -0.158 0.400) 0.430 9.765 ( 0.000 -6.012 -2.310) 6.440 10.468 ( 0.000 2.849 4.131) 5.018 10.522 ( 0.000 -2.342 4.181) 4.792 10.906 ( 0.000 4.335 -5.980) 7.386 11.004 ( 0.000 -4.477 -5.876) 7.387 11.252 ( 0.000 1.860 -0.830) 2.037 11.265 ( 0.000 0.148 -1.462) 1.469 11.422 ( 0.000 9.563 3.478) 10.176 11.629 ( 0.000 -9.249 0.788) 9.283 12.093 ( 0.000 3.542 -0.092) 3.543 12.157 ( 0.000 -2.286 -1.119) 2.545 12.614 ( 0.000 1.204 -1.467) 1.898 12.657 ( 0.000 -2.577 -0.671) 2.663 12.800 ( 0.000 -2.289 -3.856) 4.484 12.814 ( 0.000 -3.018 -2.739) 4.076 13.591 ( 0.000 3.650 -0.673) 3.711 13.631 ( 0.000 -0.180 -0.562) 0.590 14.400 ( 0.000 7.355 -5.341) 9.090 14.520 ( 0.000 -3.588 -5.894) 6.900 15.645 ( 0.000 4.735 -6.753) 8.247 15.731 ( 0.000 -3.483 -7.471) 8.243 16.165 ( 0.000 10.661 -1.828) 10.817 16.303 ( 0.000 -3.144 -4.546) 5.527 16.514 ( 0.000 3.790 1.709) 4.158 16.616 ( 0.000 -4.390 2.139) 4.883 17.062 ( 0.000 7.478 2.028) 7.748 17.148 ( 0.000 4.856 -0.077) 4.857 17.245 ( 0.000 4.448 3.731) 5.806 17.403 ( 0.000 -7.184 4.018) 8.231 17.427 ( 0.000 -2.754 9.775) 10.155 17.486 ( 0.000 -6.113 5.174) 8.008 25.200 ( 0.000 2.260 -0.560) 2.329 25.240 ( 0.000 -1.556 -0.420) 1.611 25.363 ( 0.000 2.820 0.284) 2.834 25.408 ( 0.000 -1.393 -0.372) 1.442 26.376 ( 0.000 2.698 -0.144) 2.702 26.432 ( 0.000 -2.659 -0.829) 2.785 26.667 ( 0.000 3.091 -2.459) 3.950 26.706 ( 0.000 -0.388 -3.725) 3.745 26.752 ( 0.000 5.266 1.767) 5.554 26.859 ( 0.000 -4.356 2.287) 4.920 26.925 ( 0.000 1.416 5.594) 5.771 26.954 ( 0.000 -1.838 4.658) 5.008 28.119 ( 0.000 7.351 -1.314) 7.467 28.294 ( 0.000 -9.151 -3.257) 9.714 28.420 ( 0.000 10.943 -0.280) 10.947 28.633 ( 0.000 -9.395 -1.973) 9.600 ======================= Grid point 66 (29/60) ======================= q-point: ( 0.20 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.010 ( 4.970 -0.497 -1.052) 5.104 2.181 ( 9.378 5.227 2.076) 10.935 2.313 ( 8.599 2.736 5.761) 10.706 2.451 ( 1.807 -3.260 1.780) 4.131 2.591 ( 5.000 3.645 3.242) 6.985 2.741 ( 2.092 -2.877 7.131) 7.969 2.947 ( 0.685 0.826 3.074) 3.256 3.135 ( 2.625 -3.492 2.456) 5.011 3.214 ( 1.436 6.825 -1.862) 7.219 3.348 ( 4.293 -0.578 4.539) 6.274 3.559 ( 5.500 4.509 -2.861) 7.666 3.661 ( -0.770 -0.718 -2.538) 2.748 3.914 ( -2.757 5.736 2.223) 6.741 4.061 ( 6.694 -2.368 2.679) 7.589 4.149 ( -1.383 -1.342 6.088) 6.386 4.338 ( 7.679 0.478 4.613) 8.971 4.529 ( -4.696 4.242 -3.339) 7.155 4.643 ( -3.961 -7.966 2.674) 9.290 4.808 ( -11.222 1.774 -0.788) 11.388 4.902 ( -11.820 2.148 6.114) 13.480 5.056 ( -12.882 4.724 7.328) 15.555 5.224 ( -6.426 4.993 10.894) 13.598 5.427 ( 5.588 8.520 4.916) 11.313 5.461 ( 2.842 0.990 5.018) 5.851 5.580 ( -0.086 -4.043 4.964) 6.403 5.697 ( 5.939 -9.650 0.985) 11.374 5.791 ( -0.148 3.683 3.512) 5.091 5.940 ( 2.856 -6.941 4.557) 8.780 6.449 ( -4.958 4.484 -0.859) 6.740 6.534 ( -5.432 -1.156 -3.084) 6.352 6.687 ( -5.840 7.804 -6.440) 11.682 6.761 ( -0.047 -1.889 -2.366) 3.028 6.912 ( -8.040 4.617 -3.850) 10.039 7.011 ( 1.674 -0.215 -6.946) 7.148 7.157 ( -0.977 -3.458 2.845) 4.583 7.227 ( -5.956 -4.206 0.509) 7.309 7.447 ( -1.204 -0.747 -5.827) 5.997 7.480 ( -2.063 -0.278 -8.438) 8.691 7.588 ( -1.330 -4.975 -5.877) 7.814 7.663 ( 3.697 -3.898 3.773) 6.565 7.954 ( 5.803 5.351 -0.867) 7.941 8.080 ( 8.100 -3.271 -3.383) 9.368 8.220 ( -4.041 -0.372 4.796) 6.283 8.371 ( -4.871 -6.549 2.257) 8.468 8.591 ( 7.978 2.108 12.567) 15.034 8.677 ( 9.081 -4.233 5.926) 11.640 9.271 ( 0.926 4.168 -9.757) 10.650 9.430 ( -2.803 -7.317 -7.925) 11.144 9.700 ( 1.158 -0.822 -0.029) 1.420 9.802 ( 3.034 -4.543 1.540) 5.676 10.465 ( -0.560 1.251 1.866) 2.315 10.543 ( 1.526 -0.430 3.423) 3.772 10.823 ( -5.789 1.126 -7.417) 9.476 10.986 ( -1.595 -3.142 -2.147) 4.126 11.203 ( -1.882 1.968 -1.541) 3.128 11.280 ( -2.966 1.014 0.965) 3.280 11.517 ( 10.084 7.380 1.174) 12.551 11.705 ( 6.379 -6.741 1.537) 9.407 12.071 ( -2.043 3.556 -1.218) 4.278 12.173 ( 1.234 -2.167 -0.271) 2.508 12.568 ( -3.433 0.440 -0.953) 3.590 12.613 ( -4.130 -3.779 -1.276) 5.741 12.785 ( 0.551 -2.355 -3.136) 3.961 12.867 ( 1.619 -2.100 -1.443) 3.018 13.643 ( 6.228 4.962 -2.231) 8.270 13.728 ( 9.545 -0.879 -2.019) 9.796 14.328 ( -7.209 6.135 -5.767) 11.084 14.494 ( -3.603 -3.477 -5.595) 7.508 15.628 ( -1.134 3.404 -5.435) 6.512 15.729 ( -0.512 -0.907 -4.890) 5.000 16.043 ( -9.313 4.961 -4.373) 11.422 16.248 ( -4.780 -0.365 -2.247) 5.295 16.616 ( 8.067 4.255 0.827) 9.157 16.698 ( 6.937 -2.402 -1.077) 7.419 17.002 ( -5.074 8.023 2.173) 9.738 17.105 ( -4.046 2.504 -0.763) 4.819 17.270 ( 1.726 3.716 3.498) 5.388 17.389 ( -1.533 -1.938 9.238) 9.563 17.450 ( 2.457 -5.349 5.716) 8.205 17.504 ( 1.366 -6.256 6.310) 8.990 25.205 ( 0.491 2.145 -0.777) 2.333 25.250 ( 1.028 -1.403 -0.417) 1.789 25.350 ( -1.404 2.507 0.437) 2.906 25.395 ( -1.305 -1.147 -0.035) 1.737 26.417 ( 4.187 2.852 -0.271) 5.073 26.473 ( 4.046 -2.285 -0.961) 4.745 26.644 ( -2.069 1.730 -2.092) 3.413 26.712 ( -0.853 2.205 -3.569) 4.281 26.754 ( 0.980 3.102 2.071) 3.857 26.856 ( -0.105 -3.305 2.015) 3.872 26.893 ( -2.135 0.010 4.150) 4.667 26.980 ( 1.457 -1.053 6.050) 6.311 28.098 ( -2.021 5.542 -2.549) 6.426 28.267 ( -2.178 -2.317 0.098) 3.181 28.449 ( 2.466 4.603 -2.858) 5.953 28.621 ( -1.309 -8.180 -2.052) 8.534 ======================= Grid point 67 (30/60) ======================= q-point: ( 0.40 0.44 0.14) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.146 ( 7.490 -0.381 -12.043) 14.188 2.314 ( 4.967 1.913 -3.997) 6.657 2.370 ( -0.866 -4.029 -2.863) 5.017 2.557 ( -3.789 8.329 2.011) 9.369 2.621 ( 8.325 -1.811 3.952) 9.392 2.791 ( 1.088 4.020 11.155) 11.907 2.992 ( 2.863 -12.495 -2.045) 12.981 3.165 ( 0.105 -0.273 4.426) 4.436 3.249 ( 3.124 7.882 -5.477) 10.093 3.434 ( 4.058 1.195 2.969) 5.169 3.608 ( -0.425 3.237 3.332) 4.665 3.681 ( -1.901 -2.852 5.535) 6.511 3.943 ( 10.283 11.339 1.645) 15.396 4.131 ( 1.968 1.437 5.473) 5.991 4.244 ( 8.219 -0.573 2.221) 8.533 4.359 ( -12.330 2.283 -4.363) 13.277 4.463 ( 0.986 3.523 1.610) 3.997 4.556 ( -2.095 -2.173 4.484) 5.405 4.664 ( -4.551 -0.035 1.999) 4.971 4.701 ( -5.270 -2.493 6.824) 8.975 4.799 ( -12.153 -0.399 7.905) 14.503 5.163 ( 0.433 9.155 12.751) 15.703 5.387 ( -6.329 -5.648 0.018) 8.482 5.488 ( -1.154 -7.193 2.169) 7.601 5.632 ( 5.734 6.699 10.830) 13.966 5.772 ( 0.670 1.657 3.072) 3.554 5.844 ( 3.931 -0.522 6.398) 7.527 5.950 ( -1.395 -0.198 8.238) 8.358 6.367 ( -2.882 2.407 -1.002) 3.886 6.462 ( 0.256 0.692 -1.769) 1.917 6.539 ( -7.368 4.724 -4.484) 9.834 6.696 ( -4.712 -1.702 4.597) 6.800 6.882 ( 2.014 0.816 -8.351) 8.630 7.035 ( -1.084 -0.402 -1.415) 1.827 7.143 ( -1.268 -2.497 2.381) 3.676 7.202 ( 3.513 -3.794 -2.969) 5.962 7.414 ( -0.700 1.596 -7.086) 7.298 7.443 ( -2.853 1.261 -10.122) 10.592 7.563 ( -0.419 -6.521 -6.164) 8.983 7.717 ( 1.430 -4.024 4.877) 6.483 8.050 ( 4.367 5.832 -2.024) 7.562 8.118 ( -2.759 4.790 -3.295) 6.436 8.227 ( 3.352 -10.212 3.929) 11.443 8.288 ( -3.688 -9.774 3.099) 10.897 8.698 ( 3.158 0.777 3.145) 4.524 8.830 ( 5.473 0.580 6.697) 8.669 9.283 ( 0.404 -1.587 -11.741) 11.855 9.382 ( -1.774 -2.466 -9.141) 9.633 9.732 ( 1.534 -1.007 1.499) 2.370 9.852 ( 1.811 -1.697 6.712) 7.156 10.442 ( -1.373 0.243 -4.099) 4.330 10.559 ( 0.245 0.232 1.992) 2.020 10.755 ( -1.650 -1.594 -6.483) 6.877 10.985 ( 1.278 -1.771 2.555) 3.361 11.179 ( -0.562 1.506 -1.032) 1.910 11.206 ( -3.718 0.450 -0.706) 3.811 11.701 ( 8.216 6.401 2.162) 10.637 11.788 ( 1.050 -1.133 2.950) 3.330 12.034 ( -1.371 -0.003 -4.255) 4.471 12.189 ( 0.392 -0.916 1.091) 1.478 12.523 ( -1.082 -2.314 -1.622) 3.026 12.548 ( -2.350 -2.646 -0.411) 3.563 12.793 ( 0.173 -3.138 -2.068) 3.762 12.866 ( -0.805 -1.695 0.155) 1.883 13.790 ( 7.647 7.700 -5.490) 12.162 13.924 ( 9.203 1.083 -3.465) 9.894 14.176 ( -7.502 -0.284 -7.185) 10.391 14.391 ( -6.094 -2.487 -4.185) 7.799 15.625 ( 0.653 2.327 -0.792) 2.543 15.710 ( -1.227 3.327 -1.463) 3.836 15.907 ( -4.419 0.044 -9.888) 10.830 16.180 ( -2.074 -0.048 -1.396) 2.501 16.731 ( 3.735 4.433 -3.690) 6.871 16.820 ( 5.585 0.904 -1.387) 5.825 16.914 ( -4.163 8.134 2.666) 9.518 17.032 ( -3.034 0.078 -0.892) 3.163 17.292 ( 0.608 3.365 2.894) 4.480 17.363 ( -0.932 -0.974 10.839) 10.923 17.490 ( 1.427 -5.419 6.960) 8.936 17.523 ( 0.504 -5.383 6.846) 8.724 25.214 ( 0.326 1.751 -1.340) 2.229 25.277 ( 1.946 -0.576 -0.169) 2.037 25.316 ( -2.152 1.019 0.194) 2.389 25.372 ( -0.815 -0.144 0.932) 1.246 26.509 ( 5.241 2.671 -0.730) 5.927 26.557 ( 4.303 0.047 -1.175) 4.461 26.596 ( -2.991 0.930 -1.428) 3.442 26.660 ( -4.063 1.671 -1.560) 4.662 26.791 ( 2.330 1.322 0.932) 2.836 26.853 ( -1.959 -0.288 2.934) 3.540 26.861 ( 0.223 -1.528 2.192) 2.681 26.995 ( 0.309 -1.502 6.673) 6.846 28.064 ( -1.249 3.275 -4.100) 5.394 28.235 ( -1.044 2.958 3.059) 4.382 28.490 ( 1.580 -1.538 -5.454) 5.882 28.594 ( -1.210 -5.213 -1.745) 5.629 ======================= Grid point 90 (31/60) ======================= q-point: ( 0.00 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.763 ( 0.000 0.000 42.872) 42.872 1.791 ( 0.000 0.000 41.887) 41.887 1.876 ( 0.000 0.000 12.129) 12.129 2.075 ( 0.000 0.000 -2.701) 2.701 2.368 ( 0.000 0.000 7.657) 7.657 2.479 ( 0.000 0.000 -0.025) 0.025 2.503 ( 0.000 0.000 2.021) 2.021 2.662 ( 0.000 0.000 -0.144) 0.144 2.751 ( 0.000 0.000 57.474) 57.474 2.915 ( 0.000 0.000 5.959) 5.959 3.103 ( 0.000 0.000 15.153) 15.153 3.491 ( 0.000 0.000 2.835) 2.835 3.665 ( 0.000 0.000 -8.955) 8.955 4.125 ( 0.000 0.000 -13.228) 13.228 4.252 ( 0.000 0.000 -27.434) 27.434 4.386 ( 0.000 0.000 -20.635) 20.635 4.421 ( 0.000 0.000 20.411) 20.411 4.606 ( 0.000 0.000 23.171) 23.171 4.883 ( 0.000 0.000 20.604) 20.604 5.077 ( 0.000 0.000 6.129) 6.129 5.557 ( 0.000 0.000 -1.201) 1.201 5.708 ( 0.000 0.000 9.750) 9.750 5.711 ( 0.000 0.000 6.142) 6.142 5.765 ( 0.000 0.000 9.906) 9.906 5.794 ( 0.000 0.000 -2.868) 2.868 6.065 ( 0.000 0.000 9.530) 9.530 6.123 ( 0.000 0.000 7.852) 7.852 6.211 ( 0.000 0.000 12.801) 12.801 6.371 ( 0.000 0.000 -14.989) 14.989 6.547 ( 0.000 0.000 -8.807) 8.807 6.837 ( 0.000 0.000 15.498) 15.498 6.854 ( 0.000 0.000 -0.491) 0.491 6.866 ( 0.000 0.000 -8.115) 8.115 7.039 ( 0.000 0.000 -12.059) 12.059 7.061 ( 0.000 0.000 -2.351) 2.351 7.138 ( 0.000 0.000 -12.141) 12.141 7.439 ( 0.000 0.000 -5.680) 5.680 7.628 ( 0.000 0.000 -16.455) 16.455 7.846 ( 0.000 0.000 -2.413) 2.413 7.864 ( 0.000 0.000 -3.886) 3.886 7.889 ( 0.000 0.000 -17.195) 17.195 7.898 ( 0.000 0.000 -13.495) 13.495 8.094 ( 0.000 0.000 6.907) 6.907 8.095 ( 0.000 0.000 6.229) 6.229 8.786 ( 0.000 0.000 2.152) 2.152 9.251 ( 0.000 0.000 7.654) 7.654 9.284 ( 0.000 0.000 -21.951) 21.951 9.766 ( 0.000 0.000 -3.577) 3.577 10.141 ( 0.000 0.000 1.066) 1.066 10.322 ( 0.000 0.000 8.228) 8.228 10.342 ( 0.000 0.000 11.017) 11.017 10.443 ( 0.000 0.000 -8.669) 8.669 10.809 ( 0.000 0.000 -7.607) 7.607 10.859 ( 0.000 0.000 -7.020) 7.020 10.915 ( 0.000 0.000 -3.953) 3.953 11.043 ( 0.000 0.000 -4.756) 4.756 11.627 ( 0.000 0.000 1.862) 1.862 11.690 ( 0.000 0.000 1.680) 1.680 11.874 ( 0.000 0.000 8.950) 8.950 11.949 ( 0.000 0.000 0.768) 0.768 12.547 ( 0.000 0.000 -2.524) 2.524 12.576 ( 0.000 0.000 -6.968) 6.968 12.988 ( 0.000 0.000 -0.023) 0.023 13.020 ( 0.000 0.000 -2.505) 2.505 13.509 ( 0.000 0.000 4.296) 4.296 13.695 ( 0.000 0.000 4.209) 4.209 13.800 ( 0.000 0.000 0.291) 0.291 13.861 ( 0.000 0.000 -6.210) 6.210 15.572 ( 0.000 0.000 8.336) 8.336 15.929 ( 0.000 0.000 9.931) 9.931 16.097 ( 0.000 0.000 -6.032) 6.032 16.106 ( 0.000 0.000 5.678) 5.678 16.272 ( 0.000 0.000 -0.449) 0.449 16.384 ( 0.000 0.000 -4.056) 4.056 16.591 ( 0.000 0.000 -3.260) 3.260 16.790 ( 0.000 0.000 -11.614) 11.614 17.449 ( 0.000 0.000 5.929) 5.929 17.649 ( 0.000 0.000 2.669) 2.669 17.678 ( 0.000 0.000 5.670) 5.670 17.984 ( 0.000 0.000 -3.349) 3.349 25.100 ( 0.000 0.000 2.033) 2.033 25.168 ( 0.000 0.000 2.278) 2.278 25.238 ( 0.000 0.000 -1.905) 1.905 25.349 ( 0.000 0.000 -2.669) 2.669 26.293 ( 0.000 0.000 1.705) 1.705 26.327 ( 0.000 0.000 0.425) 0.425 26.445 ( 0.000 0.000 -4.823) 4.823 26.513 ( 0.000 0.000 -4.903) 4.903 26.564 ( 0.000 0.000 3.037) 3.037 26.652 ( 0.000 0.000 -0.779) 0.779 26.716 ( 0.000 0.000 -2.746) 2.746 26.791 ( 0.000 0.000 -2.975) 2.975 28.075 ( 0.000 0.000 17.150) 17.150 28.270 ( 0.000 0.000 9.524) 9.524 28.820 ( 0.000 0.000 -6.115) 6.115 28.998 ( 0.000 0.000 -11.659) 11.659 ======================= Grid point 91 (32/60) ======================= q-point: ( 0.20 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.557 ( -13.561 0.000 40.739) 42.937 1.769 ( -2.500 0.000 26.215) 26.334 1.885 ( 0.222 0.000 13.956) 13.958 1.959 ( -11.971 0.000 11.769) 16.787 2.274 ( 2.361 0.000 2.437) 3.394 2.482 ( 0.205 0.000 -0.611) 0.645 2.613 ( 1.324 0.000 -2.197) 2.565 2.770 ( -7.413 0.000 9.265) 11.866 2.786 ( 8.031 0.000 -6.262) 10.184 3.103 ( 16.131 0.000 24.222) 29.102 3.291 ( 24.940 0.000 37.787) 45.276 3.392 ( 2.370 0.000 12.513) 12.735 3.866 ( 12.594 0.000 -5.982) 13.943 3.901 ( -15.213 0.000 -17.015) 22.824 4.275 ( 0.838 0.000 -23.361) 23.376 4.299 ( -7.609 0.000 -10.644) 13.085 4.472 ( -3.269 0.000 11.884) 12.325 4.693 ( 11.315 0.000 21.119) 23.959 4.907 ( -1.418 0.000 18.311) 18.366 5.088 ( 4.302 0.000 10.122) 10.998 5.511 ( -13.767 0.000 16.298) 21.335 5.539 ( -3.504 0.000 2.578) 4.350 5.724 ( 1.106 0.000 9.042) 9.109 5.863 ( -4.917 0.000 8.084) 9.462 5.875 ( 7.436 0.000 -3.316) 8.142 6.035 ( -0.116 0.000 7.138) 7.139 6.105 ( 0.518 0.000 10.391) 10.404 6.136 ( -6.761 0.000 12.047) 13.815 6.345 ( 0.129 0.000 -11.390) 11.391 6.540 ( 1.556 0.000 -7.542) 7.701 6.610 ( -9.833 0.000 1.364) 9.927 6.812 ( -5.294 0.000 0.107) 5.296 6.970 ( 2.179 0.000 -5.393) 5.817 7.022 ( -0.805 0.000 -16.805) 16.825 7.125 ( 2.580 0.000 1.077) 2.796 7.215 ( 3.314 0.000 -8.267) 8.906 7.421 ( -7.063 0.000 -11.678) 13.648 7.592 ( 5.251 0.000 -12.060) 13.154 7.640 ( -12.785 0.000 2.978) 13.127 7.841 ( 1.168 0.000 -9.546) 9.617 7.878 ( -0.626 0.000 -5.944) 5.977 7.963 ( -2.441 0.000 -8.146) 8.504 8.020 ( 5.176 0.000 -18.616) 19.322 8.456 ( 18.162 0.000 8.557) 20.077 8.645 ( -10.581 0.000 -4.039) 11.325 9.194 ( -5.554 0.000 9.548) 11.046 9.425 ( 12.158 0.000 -12.361) 17.338 9.803 ( 2.377 0.000 -4.706) 5.272 10.127 ( -1.411 0.000 0.430) 1.475 10.169 ( -7.188 0.000 5.535) 9.072 10.433 ( 1.888 0.000 6.819) 7.075 10.447 ( 0.292 0.000 -8.356) 8.361 10.830 ( 2.986 0.000 -6.150) 6.837 10.897 ( 2.992 0.000 -7.101) 7.706 10.907 ( -0.249 0.000 -3.254) 3.264 11.065 ( 0.812 0.000 -3.246) 3.346 11.642 ( 1.034 0.000 2.103) 2.343 11.729 ( -7.949 0.000 7.532) 10.951 11.751 ( 6.481 0.000 -1.138) 6.580 12.081 ( 5.416 0.000 -0.618) 5.451 12.468 ( -1.460 0.000 -0.765) 1.648 12.708 ( 8.426 0.000 -4.680) 9.638 12.872 ( -7.779 0.000 3.670) 8.601 13.069 ( -0.175 0.000 -4.823) 4.826 13.517 ( 0.870 0.000 3.960) 4.054 13.637 ( -3.789 0.000 4.307) 5.737 13.815 ( 0.250 0.000 -2.862) 2.873 13.852 ( -0.993 0.000 -6.736) 6.809 15.621 ( 4.283 0.000 6.558) 7.832 15.866 ( -5.405 0.000 9.506) 10.935 16.097 ( 0.794 0.000 -6.213) 6.264 16.146 ( 2.913 0.000 4.633) 5.472 16.254 ( 0.178 0.000 0.991) 1.007 16.475 ( 7.378 0.000 -5.182) 9.016 16.535 ( -5.799 0.000 -4.180) 7.148 16.774 ( -1.887 0.000 -10.445) 10.614 17.454 ( 0.936 0.000 7.134) 7.195 17.645 ( -3.466 0.000 6.891) 7.713 17.686 ( 3.621 0.000 2.641) 4.482 17.932 ( -4.674 0.000 0.070) 4.674 25.108 ( 0.930 0.000 2.142) 2.335 25.165 ( -0.401 0.000 2.262) 2.297 25.244 ( 0.686 0.000 -1.790) 1.917 25.334 ( -1.537 0.000 -2.477) 2.915 26.289 ( -0.373 0.000 2.207) 2.239 26.316 ( -1.012 0.000 0.693) 1.226 26.449 ( 0.355 0.000 -4.485) 4.499 26.475 ( -1.957 0.000 -1.778) 2.644 26.607 ( 2.555 0.000 -0.051) 2.556 26.649 ( -0.286 0.000 -0.626) 0.688 26.729 ( 1.191 0.000 -2.523) 2.790 26.776 ( -1.154 0.000 -2.083) 2.381 28.074 ( 0.065 0.000 16.860) 16.860 28.210 ( -4.967 0.000 12.348) 13.310 28.894 ( 5.844 0.000 -10.545) 12.056 29.001 ( 0.330 0.000 -12.050) 12.055 ======================= Grid point 92 (33/60) ======================= q-point: ( 0.40 0.00 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.451 ( 3.084 0.000 24.371) 24.565 1.623 ( -12.935 0.000 7.149) 14.780 1.844 ( 0.449 0.000 22.024) 22.029 1.874 ( -1.545 0.000 16.153) 16.227 2.385 ( 7.232 0.000 9.240) 11.734 2.474 ( -1.861 0.000 3.734) 4.172 2.618 ( -0.483 0.000 -1.963) 2.021 2.645 ( -4.865 0.000 3.727) 6.128 2.880 ( 8.000 0.000 -15.056) 17.049 3.103 ( -12.143 0.000 -4.952) 13.114 3.595 ( 13.635 0.000 15.563) 20.691 3.716 ( 2.123 0.000 2.383) 3.192 3.953 ( 24.159 0.000 25.023) 34.782 4.051 ( 5.815 0.000 -2.916) 6.505 4.201 ( 2.739 0.000 6.497) 7.051 4.248 ( -2.310 0.000 -11.399) 11.630 4.383 ( -0.979 0.000 4.426) 4.533 4.737 ( -19.923 0.000 27.281) 33.782 4.889 ( 8.115 0.000 11.516) 14.088 5.055 ( -14.751 0.000 9.225) 17.398 5.361 ( 6.699 0.000 17.835) 19.052 5.454 ( -3.909 0.000 11.428) 12.079 5.717 ( -2.638 0.000 15.402) 15.626 5.723 ( -6.053 0.000 11.832) 13.290 5.996 ( 3.641 0.000 0.958) 3.765 6.017 ( -0.505 0.000 5.980) 6.001 6.043 ( -0.034 0.000 11.211) 11.211 6.099 ( -2.729 0.000 12.302) 12.601 6.468 ( 8.726 0.000 -8.522) 12.197 6.553 ( 5.377 0.000 -9.501) 10.917 6.595 ( -1.453 0.000 -9.169) 9.284 6.675 ( -6.349 0.000 -5.210) 8.213 6.953 ( -5.360 0.000 -16.535) 17.382 6.960 ( -3.534 0.000 -10.741) 11.307 7.130 ( 0.949 0.000 0.774) 1.224 7.194 ( -5.366 0.000 -2.453) 5.900 7.350 ( 3.994 0.000 -8.446) 9.343 7.463 ( -7.422 0.000 -2.603) 7.866 7.767 ( 8.517 0.000 -11.389) 14.222 7.872 ( -2.616 0.000 -9.814) 10.157 7.894 ( 3.382 0.000 -10.390) 10.926 7.916 ( -1.005 0.000 -8.732) 8.790 8.115 ( 8.172 0.000 -17.534) 19.345 8.349 ( -15.174 0.000 -17.271) 22.989 8.820 ( 15.570 0.000 13.832) 20.827 9.054 ( -10.080 0.000 12.001) 15.672 9.647 ( 11.047 0.000 -5.239) 12.226 9.793 ( -4.328 0.000 -3.994) 5.889 10.093 ( -1.420 0.000 0.863) 1.662 10.098 ( -1.428 0.000 -0.265) 1.453 10.443 ( 0.238 0.000 -2.450) 2.462 10.448 ( -0.175 0.000 -7.391) 7.393 10.917 ( 1.236 0.000 -0.311) 1.275 10.918 ( 5.711 0.000 -3.684) 6.796 10.934 ( 0.950 0.000 -4.624) 4.720 11.029 ( -4.758 0.000 -3.600) 5.966 11.638 ( -1.720 0.000 6.263) 6.495 11.643 ( -0.994 0.000 3.238) 3.387 11.906 ( 9.662 0.000 -4.363) 10.601 12.064 ( -6.423 0.000 -5.463) 8.432 12.544 ( 8.546 0.000 5.091) 9.948 12.716 ( -9.362 0.000 5.717) 10.969 12.862 ( 8.225 0.000 -3.341) 8.878 13.000 ( -6.515 0.000 -3.484) 7.388 13.544 ( 2.139 0.000 3.242) 3.884 13.587 ( -2.299 0.000 3.094) 3.855 13.812 ( 0.170 0.000 -6.939) 6.941 13.829 ( -1.361 0.000 -7.738) 7.857 15.693 ( 3.636 0.000 6.401) 7.362 15.768 ( -4.845 0.000 8.282) 9.595 16.146 ( 3.771 0.000 -4.991) 6.255 16.180 ( 0.407 0.000 1.064) 1.139 16.289 ( 3.777 0.000 0.733) 3.847 16.402 ( -7.921 0.000 -3.723) 8.752 16.610 ( 6.922 0.000 -7.020) 9.859 16.716 ( -4.525 0.000 -8.744) 9.846 17.492 ( 3.202 0.000 9.044) 9.594 17.566 ( -4.693 0.000 9.111) 10.249 17.763 ( 4.492 0.000 2.903) 5.349 17.845 ( -4.625 0.000 2.803) 5.408 25.131 ( 1.408 0.000 2.181) 2.596 25.153 ( -0.921 0.000 2.215) 2.399 25.264 ( 1.511 0.000 -1.726) 2.294 25.298 ( -2.150 0.000 -2.041) 2.965 26.286 ( 0.167 0.000 2.349) 2.355 26.297 ( -0.971 0.000 1.503) 1.789 26.454 ( 0.176 0.000 -3.571) 3.576 26.457 ( -0.276 0.000 -2.272) 2.288 26.637 ( 0.796 0.000 -0.357) 0.872 26.644 ( -0.213 0.000 -0.345) 0.406 26.750 ( 0.876 0.000 -1.989) 2.174 26.761 ( -0.531 0.000 -1.555) 1.643 28.085 ( 1.344 0.000 16.002) 16.059 28.129 ( -3.550 0.000 14.678) 15.101 28.977 ( 2.871 0.000 -13.326) 13.632 29.003 ( -0.365 0.000 -12.960) 12.965 ======================= Grid point 95 (34/60) ======================= q-point: ( 0.00 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.493 ( 0.000 -4.949 32.592) 32.965 1.786 ( 0.000 1.290 37.028) 37.050 2.061 ( 0.000 3.413 1.623) 3.779 2.099 ( 0.000 7.476 17.182) 18.738 2.427 ( 0.000 -1.544 3.290) 3.634 2.506 ( 0.000 10.316 6.030) 11.949 2.744 ( 0.000 17.067 1.194) 17.109 2.811 ( 0.000 8.063 -5.928) 10.007 3.044 ( 0.000 9.076 1.530) 9.204 3.090 ( 0.000 5.271 9.050) 10.473 3.252 ( 0.000 31.394 47.408) 56.861 3.539 ( 0.000 4.392 2.735) 5.174 3.675 ( 0.000 0.654 -3.169) 3.236 4.003 ( 0.000 -16.504 -13.700) 21.450 4.203 ( 0.000 8.853 -11.914) 14.843 4.371 ( 0.000 -8.204 9.118) 12.266 4.381 ( 0.000 2.571 -21.237) 21.393 4.670 ( 0.000 4.753 17.457) 18.092 4.919 ( 0.000 2.847 20.282) 20.481 5.015 ( 0.000 -4.991 2.477) 5.572 5.300 ( 0.000 -16.754 7.047) 18.176 5.530 ( 0.000 -11.710 9.054) 14.802 5.597 ( 0.000 -7.296 3.463) 8.076 5.721 ( 0.000 -9.324 4.221) 10.235 5.957 ( 0.000 5.701 1.935) 6.020 6.107 ( 0.000 3.752 10.598) 11.242 6.185 ( 0.000 2.390 3.090) 3.906 6.251 ( 0.000 1.462 8.985) 9.103 6.365 ( 0.000 4.448 -7.679) 8.874 6.539 ( 0.000 -0.438 -8.066) 8.078 6.686 ( 0.000 -9.894 2.318) 10.162 6.806 ( 0.000 -9.969 -7.812) 12.665 6.890 ( 0.000 2.985 8.200) 8.727 7.030 ( 0.000 0.328 -11.079) 11.084 7.150 ( 0.000 4.975 0.236) 4.980 7.192 ( 0.000 3.929 -8.455) 9.324 7.475 ( 0.000 -8.231 -14.100) 16.327 7.484 ( 0.000 3.686 -5.385) 6.526 7.776 ( 0.000 -4.390 -5.765) 7.246 7.824 ( 0.000 -2.981 -9.699) 10.146 7.905 ( 0.000 1.041 -7.990) 8.058 7.944 ( 0.000 1.832 1.048) 2.110 8.125 ( 0.000 0.522 3.019) 3.064 8.154 ( 0.000 3.253 -0.839) 3.359 8.788 ( 0.000 0.879 0.909) 1.265 9.036 ( 0.000 -10.815 -7.543) 13.186 9.364 ( 0.000 1.644 -7.834) 8.004 9.613 ( 0.000 -12.554 -5.209) 13.592 10.208 ( 0.000 3.581 1.341) 3.824 10.240 ( 0.000 -6.961 3.334) 7.719 10.334 ( 0.000 0.798 8.963) 8.998 10.558 ( 0.000 7.307 -2.199) 7.631 10.812 ( 0.000 -4.040 -9.010) 9.874 10.855 ( 0.000 3.156 -6.887) 7.576 10.964 ( 0.000 4.115 -0.806) 4.193 11.086 ( 0.000 2.576 -6.070) 6.594 11.518 ( 0.000 -7.700 2.161) 7.998 11.688 ( 0.000 3.259 0.867) 3.373 11.963 ( 0.000 5.403 5.713) 7.863 11.980 ( 0.000 1.736 1.730) 2.451 12.593 ( 0.000 3.829 -2.765) 4.723 12.638 ( 0.000 4.060 -6.119) 7.344 12.947 ( 0.000 -5.810 0.802) 5.865 13.052 ( 0.000 3.471 -1.567) 3.808 13.601 ( 0.000 6.348 -1.780) 6.593 13.642 ( 0.000 -2.426 4.539) 5.147 13.662 ( 0.000 -7.032 -0.775) 7.075 13.970 ( 0.000 6.050 -6.807) 9.107 15.571 ( 0.000 0.431 8.530) 8.541 15.889 ( 0.000 -3.553 9.061) 9.733 15.988 ( 0.000 -8.016 -0.409) 8.027 16.162 ( 0.000 4.758 -4.613) 6.627 16.293 ( 0.000 1.755 1.468) 2.288 16.373 ( 0.000 -0.347 -4.004) 4.019 16.658 ( 0.000 5.138 -4.151) 6.605 16.785 ( 0.000 -0.194 -10.370) 10.371 17.433 ( 0.000 -1.149 8.051) 8.132 17.634 ( 0.000 0.360 3.935) 3.952 17.741 ( 0.000 3.246 5.172) 6.106 17.943 ( 0.000 -3.271 1.682) 3.678 25.104 ( 0.000 0.454 2.243) 2.289 25.191 ( 0.000 2.069 2.054) 2.915 25.244 ( 0.000 0.492 -1.772) 1.839 25.358 ( 0.000 0.822 -2.451) 2.585 26.272 ( 0.000 0.245 2.373) 2.386 26.413 ( 0.000 5.219 -0.764) 5.275 26.449 ( 0.000 0.554 -4.146) 4.183 26.539 ( 0.000 1.795 -4.624) 4.961 26.549 ( 0.000 0.026 2.437) 2.437 26.738 ( 0.000 2.262 -3.183) 3.905 26.741 ( 0.000 6.522 1.216) 6.634 26.877 ( 0.000 7.489 -2.450) 7.880 28.029 ( 0.000 -3.747 13.891) 14.387 28.263 ( 0.000 -0.631 10.521) 10.540 28.710 ( 0.000 -8.122 -7.063) 10.764 28.984 ( 0.000 -2.735 -10.446) 10.798 ======================= Grid point 96 (35/60) ======================= q-point: ( 0.20 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.416 ( -4.150 -2.317 32.416) 32.762 1.749 ( -1.408 5.610 19.800) 20.628 1.979 ( -5.074 8.361 5.451) 11.197 2.198 ( -6.838 9.642 16.144) 20.009 2.354 ( 9.763 5.856 10.297) 15.351 2.551 ( -0.690 5.603 -3.840) 6.828 2.737 ( -5.407 6.512 -6.963) 10.960 2.884 ( 5.806 11.443 -2.055) 12.995 2.964 ( -6.011 12.071 0.835) 13.511 3.146 ( 4.782 2.048 11.415) 12.544 3.407 ( 6.406 6.615 19.113) 21.215 3.526 ( 15.872 15.337 29.538) 36.873 3.757 ( -0.840 -2.519 -5.235) 5.870 3.974 ( -0.676 -2.769 -9.889) 10.291 4.145 ( 2.902 -0.478 -9.169) 9.629 4.311 ( -4.023 1.722 -1.065) 4.504 4.559 ( 8.325 -1.994 -1.652) 8.718 4.638 ( -1.820 1.464 15.626) 15.800 4.886 ( -2.622 -2.106 11.493) 11.975 5.093 ( 5.546 0.909 11.639) 12.925 5.243 ( -5.489 -16.176 10.644) 20.127 5.499 ( -3.250 -4.992 10.496) 12.068 5.650 ( 4.253 -11.547 2.853) 12.631 5.749 ( 2.040 -7.465 7.343) 10.668 5.876 ( -8.447 2.119 5.496) 10.297 6.029 ( -10.877 -4.982 10.645) 16.014 6.156 ( -2.654 5.443 5.603) 8.250 6.256 ( -0.985 3.603 8.567) 9.346 6.361 ( 3.695 4.767 -6.521) 8.883 6.491 ( -0.610 -2.910 -8.948) 9.429 6.617 ( -4.358 -0.661 1.597) 4.689 6.777 ( -0.381 -4.456 -3.595) 5.738 6.955 ( 2.623 -1.871 -3.545) 4.790 7.046 ( 0.064 -0.056 -7.984) 7.984 7.128 ( -2.476 1.317 -5.495) 6.170 7.241 ( 1.335 2.855 -4.038) 5.122 7.391 ( -6.288 -3.287 -11.056) 13.137 7.531 ( -0.563 -1.029 -7.437) 7.529 7.652 ( -4.884 -0.003 0.303) 4.894 7.784 ( -0.657 -3.818 -8.286) 9.147 7.849 ( -0.511 -1.761 -9.356) 9.534 7.990 ( -3.335 1.960 -8.445) 9.289 8.075 ( 5.451 2.309 -11.294) 12.752 8.471 ( 18.463 -1.385 10.774) 21.422 8.646 ( -10.792 2.851 -9.208) 14.470 9.107 ( 1.812 -6.541 3.504) 7.638 9.397 ( 4.911 -2.479 -8.393) 10.035 9.624 ( 0.603 -13.563 -5.764) 14.749 10.139 ( -5.405 -2.193 4.396) 7.304 10.216 ( -0.559 4.102 -0.136) 4.142 10.379 ( 2.556 -2.157 4.074) 5.271 10.537 ( -3.955 3.792 -3.095) 6.293 10.757 ( 0.093 -3.841 -6.735) 7.754 10.904 ( 1.187 2.531 -3.150) 4.212 10.981 ( 2.380 3.675 -1.881) 4.765 11.098 ( 0.190 1.867 -4.256) 4.651 11.594 ( 4.897 -6.257 0.335) 7.953 11.706 ( 3.292 4.647 -0.016) 5.694 11.826 ( -5.823 3.588 5.201) 8.593 12.137 ( 7.309 3.218 -1.243) 8.082 12.553 ( -0.889 6.791 -1.996) 7.134 12.705 ( 3.599 -0.310 -1.541) 3.928 12.911 ( -2.189 0.019 0.224) 2.200 13.069 ( 0.078 1.036 -2.924) 3.103 13.544 ( -3.970 -0.213 2.271) 4.579 13.604 ( -1.901 -1.625 3.445) 4.257 13.729 ( 3.574 -0.616 -5.577) 6.653 13.963 ( -0.772 6.129 -7.726) 9.892 15.589 ( 1.896 -2.127 7.528) 8.050 15.826 ( -5.056 -3.384 7.774) 9.872 16.004 ( -1.450 -8.034 -2.703) 8.600 16.152 ( 1.925 1.998 -1.373) 3.096 16.277 ( 0.381 2.234 2.450) 3.338 16.450 ( 3.832 -0.267 -4.896) 6.223 16.623 ( -2.332 5.356 -5.328) 7.907 16.774 ( -1.394 0.267 -9.164) 9.274 17.437 ( 0.671 -1.122 9.064) 9.157 17.656 ( 1.095 1.363 5.045) 5.339 17.733 ( 0.059 2.794 5.182) 5.888 17.910 ( -3.019 -1.882 3.103) 4.721 25.112 ( 0.779 0.383 2.211) 2.376 25.188 ( -0.312 2.082 2.112) 2.982 25.251 ( 0.729 0.529 -1.689) 1.914 25.344 ( -1.471 0.874 -2.252) 2.828 26.278 ( 0.672 0.915 2.257) 2.526 26.391 ( -2.004 4.309 -0.440) 4.772 26.454 ( 0.405 1.040 -3.059) 3.256 26.491 ( -1.682 1.380 -1.750) 2.792 26.609 ( 2.666 1.047 -1.179) 3.097 26.730 ( 0.195 4.622 -0.295) 4.636 26.761 ( 0.978 4.456 -1.130) 4.700 26.876 ( -0.062 8.080 -2.150) 8.362 28.022 ( -0.661 -4.019 13.786) 14.376 28.220 ( -3.677 0.476 12.233) 12.783 28.759 ( 4.134 -9.687 -9.820) 14.400 28.985 ( 0.033 -3.393 -10.836) 11.355 ======================= Grid point 97 (36/60) ======================= q-point: ( 0.40 0.11 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.464 ( 9.565 5.576 15.705) 19.215 1.671 ( -9.246 7.085 6.277) 13.232 1.937 ( 0.180 14.676 11.569) 18.688 2.042 ( -6.020 10.986 16.676) 20.857 2.471 ( 0.392 -3.303 -6.679) 7.461 2.546 ( -0.264 7.370 2.170) 7.688 2.701 ( 4.505 9.156 6.294) 11.989 2.828 ( -7.017 15.395 7.876) 18.662 2.966 ( 5.214 7.630 -11.698) 14.908 3.165 ( -5.740 3.896 -1.028) 7.013 3.540 ( 2.581 -8.444 -3.623) 9.544 3.595 ( 2.381 -4.376 -2.514) 5.581 3.946 ( 11.472 -0.007 10.728) 15.706 4.138 ( -7.119 2.003 3.628) 8.238 4.209 ( 20.849 10.282 26.321) 35.117 4.292 ( 8.323 3.585 6.334) 11.057 4.546 ( -3.775 8.070 2.073) 9.147 4.702 ( 3.448 -7.246 10.227) 13.000 4.842 ( -1.868 -0.807 9.767) 9.977 4.982 ( -23.123 -3.477 17.168) 29.009 5.179 ( 2.701 -8.889 13.404) 16.309 5.475 ( 2.646 -2.502 12.389) 12.913 5.595 ( -6.165 -6.436 12.887) 15.668 5.734 ( -6.643 -8.566 12.483) 16.533 5.845 ( 2.222 -7.413 5.309) 9.385 5.881 ( 0.945 -3.887 6.391) 7.540 6.088 ( -3.066 -0.458 7.825) 8.417 6.239 ( -0.841 5.548 11.713) 12.988 6.441 ( 4.654 -0.715 -8.408) 9.637 6.542 ( 3.005 -1.584 -10.122) 10.677 6.659 ( 5.910 5.055 -5.700) 9.642 6.731 ( -4.064 2.028 -4.841) 6.638 6.931 ( -4.909 -2.681 -6.688) 8.719 6.975 ( -3.310 0.375 -12.529) 12.964 7.128 ( 0.184 0.822 2.206) 2.361 7.203 ( -3.446 -0.160 -3.561) 4.958 7.315 ( 0.939 -1.503 -9.127) 9.298 7.419 ( -6.578 -2.333 -6.700) 9.675 7.692 ( 2.162 -5.635 -9.799) 11.508 7.823 ( -0.785 -1.341 -6.884) 7.057 7.875 ( 6.885 -2.172 -7.918) 10.715 7.968 ( -0.125 1.608 -9.712) 9.845 8.143 ( 2.362 1.719 -15.041) 15.322 8.426 ( -9.316 6.463 -16.278) 19.838 8.788 ( 13.191 -1.787 10.012) 16.657 9.043 ( -7.171 -1.582 9.978) 12.389 9.523 ( 6.964 -9.892 -6.617) 13.789 9.612 ( -2.337 -13.730 -6.351) 15.308 10.068 ( -2.224 0.187 3.801) 4.408 10.220 ( 0.786 4.757 -0.541) 4.852 10.409 ( 0.584 -2.920 -3.582) 4.659 10.461 ( -2.566 -0.462 -3.273) 4.185 10.796 ( 2.180 -2.066 -2.824) 4.122 10.916 ( 1.337 0.760 -0.351) 1.577 10.985 ( -2.904 -0.838 -2.154) 3.711 11.119 ( 2.206 7.050 -3.579) 8.208 11.619 ( -0.096 -2.534 1.919) 3.180 11.717 ( -2.520 3.598 7.196) 8.431 11.856 ( 5.848 1.188 -5.173) 7.897 12.198 ( -0.052 6.391 -7.334) 9.728 12.599 ( 5.537 4.926 3.821) 8.338 12.703 ( -4.201 -0.370 5.139) 6.647 12.918 ( 2.677 1.555 -4.144) 5.173 13.034 ( -3.139 3.288 -2.766) 5.321 13.504 ( -0.565 -3.152 2.458) 4.037 13.567 ( -1.694 -1.591 4.585) 5.141 13.779 ( 1.701 2.679 -10.385) 10.859 13.946 ( -0.787 6.269 -9.170) 11.136 15.631 ( 2.307 -5.472 6.200) 8.585 15.737 ( -3.885 -1.881 8.567) 9.593 15.962 ( -1.493 -10.734 -4.805) 11.854 16.225 ( 3.565 -0.698 0.139) 3.636 16.306 ( 3.153 3.051 1.742) 4.721 16.418 ( -5.815 1.713 -4.508) 7.555 16.651 ( 4.404 3.056 -7.075) 8.876 16.730 ( -3.424 1.211 -7.943) 8.733 17.456 ( 1.002 -1.640 10.689) 10.860 17.639 ( -1.618 4.522 8.772) 10.000 17.773 ( 3.267 0.707 3.461) 4.812 17.851 ( -3.138 0.185 4.255) 5.290 25.127 ( 0.677 0.038 2.110) 2.216 25.182 ( -0.266 2.265 2.171) 3.149 25.270 ( 1.323 0.506 -1.733) 2.239 25.310 ( -1.876 1.079 -1.751) 2.784 26.294 ( 0.782 2.333 1.633) 2.953 26.357 ( -1.388 3.492 0.890) 3.862 26.461 ( 0.307 1.432 -2.338) 2.759 26.475 ( -0.389 0.922 -2.771) 2.946 26.635 ( 0.469 1.552 -0.748) 1.785 26.741 ( 0.616 6.295 1.100) 6.420 26.773 ( 0.349 3.474 -1.935) 3.992 26.877 ( 0.109 8.662 -1.794) 8.847 28.012 ( -0.272 -4.526 13.433) 14.177 28.164 ( -1.879 1.477 13.827) 14.032 28.820 ( 1.897 -10.811 -12.345) 16.519 28.984 ( -0.060 -4.540 -11.444) 12.312 ======================= Grid point 100 (37/60) ======================= q-point: ( 0.00 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.739 ( 0.000 23.991 14.187) 27.872 1.842 ( 0.000 5.635 24.937) 25.565 2.207 ( 0.000 6.929 4.228) 8.117 2.228 ( 0.000 5.583 5.732) 8.001 2.507 ( 0.000 9.617 10.684) 14.375 2.698 ( 0.000 5.531 5.490) 7.793 2.886 ( 0.000 4.408 5.944) 7.400 3.020 ( 0.000 5.431 1.452) 5.621 3.170 ( 0.000 1.431 5.435) 5.621 3.216 ( 0.000 6.226 -7.177) 9.501 3.500 ( 0.000 -6.059 -5.144) 7.948 3.589 ( 0.000 -3.769 4.329) 5.739 3.796 ( 0.000 3.614 -3.076) 4.745 4.109 ( 0.000 33.548 26.945) 43.029 4.150 ( 0.000 -10.369 1.807) 10.526 4.443 ( 0.000 11.010 -12.680) 16.793 4.543 ( 0.000 10.092 -6.195) 11.841 4.651 ( 0.000 -7.485 7.677) 10.722 4.944 ( 0.000 -0.097 -0.995) 1.000 4.961 ( 0.000 3.676 19.876) 20.213 5.146 ( 0.000 1.557 6.816) 6.992 5.188 ( 0.000 -17.884 5.228) 18.633 5.409 ( 0.000 -9.618 6.312) 11.504 5.553 ( 0.000 -4.889 5.374) 7.265 5.946 ( 0.000 -1.540 8.836) 8.969 6.055 ( 0.000 -11.719 6.334) 13.321 6.202 ( 0.000 -4.208 1.114) 4.353 6.272 ( 0.000 2.232 3.033) 3.765 6.452 ( 0.000 -13.234 -2.590) 13.485 6.481 ( 0.000 -2.300 -6.481) 6.877 6.520 ( 0.000 4.457 -2.749) 5.237 6.651 ( 0.000 -1.298 6.411) 6.541 6.958 ( 0.000 4.260 0.337) 4.273 7.010 ( 0.000 -2.148 -8.268) 8.543 7.203 ( 0.000 -0.066 2.687) 2.688 7.253 ( 0.000 1.149 -5.303) 5.426 7.370 ( 0.000 -2.154 -9.564) 9.804 7.527 ( 0.000 -0.190 -3.776) 3.781 7.708 ( 0.000 -2.858 -6.087) 6.724 7.778 ( 0.000 -1.632 -6.301) 6.509 7.931 ( 0.000 -2.670 -0.671) 2.753 8.001 ( 0.000 7.606 -12.912) 14.986 8.080 ( 0.000 -2.015 5.400) 5.764 8.180 ( 0.000 -0.219 1.176) 1.196 8.829 ( 0.000 1.995 -0.078) 1.996 8.867 ( 0.000 -4.724 -4.959) 6.849 9.319 ( 0.000 -14.158 -5.430) 15.163 9.395 ( 0.000 1.291 -8.680) 8.776 10.073 ( 0.000 -8.796 -0.031) 8.796 10.154 ( 0.000 -8.679 5.634) 10.348 10.396 ( 0.000 4.476 4.289) 6.199 10.672 ( 0.000 2.023 -0.665) 2.130 10.733 ( 0.000 -2.470 -6.205) 6.679 10.917 ( 0.000 2.718 -5.349) 6.000 11.052 ( 0.000 4.196 0.638) 4.245 11.137 ( 0.000 2.433 -6.402) 6.849 11.397 ( 0.000 -2.775 4.648) 5.413 11.771 ( 0.000 2.201 -2.510) 3.339 12.010 ( 0.000 1.382 2.318) 2.698 12.064 ( 0.000 3.945 0.900) 4.047 12.671 ( 0.000 2.787 -2.814) 3.960 12.675 ( 0.000 -1.333 -1.516) 2.019 12.846 ( 0.000 -2.783 -1.849) 3.342 13.004 ( 0.000 -8.449 -4.260) 9.462 13.546 ( 0.000 -2.426 6.087) 6.553 13.598 ( 0.000 0.781 1.502) 1.692 13.830 ( 0.000 11.393 -7.485) 13.632 14.122 ( 0.000 8.587 -11.671) 14.490 15.578 ( 0.000 -1.522 5.661) 5.862 15.812 ( 0.000 -8.085 -3.772) 8.921 15.841 ( 0.000 1.753 6.808) 7.030 16.257 ( 0.000 1.923 -5.075) 5.427 16.379 ( 0.000 8.132 -1.188) 8.218 16.391 ( 0.000 2.082 -1.908) 2.825 16.784 ( 0.000 6.978 -2.871) 7.546 16.804 ( 0.000 2.679 -6.168) 6.724 17.407 ( 0.000 -1.402 10.561) 10.654 17.645 ( 0.000 -0.113 3.734) 3.736 17.774 ( 0.000 -0.470 5.761) 5.780 17.862 ( 0.000 -4.540 6.025) 7.544 25.121 ( 0.000 1.145 1.861) 2.185 25.248 ( 0.000 3.173 1.694) 3.597 25.253 ( 0.000 0.253 -1.415) 1.437 25.379 ( 0.000 1.104 -2.002) 2.286 26.297 ( 0.000 1.696 1.885) 2.536 26.458 ( 0.000 -0.058 -3.267) 3.267 26.510 ( 0.000 3.568 -1.151) 3.749 26.578 ( 0.000 2.003 -3.634) 4.150 26.589 ( 0.000 3.996 3.103) 5.059 26.809 ( 0.000 4.093 -3.048) 5.103 26.882 ( 0.000 6.359 4.001) 7.513 27.044 ( 0.000 6.498 -0.289) 6.505 27.959 ( 0.000 -1.821 7.121) 7.350 28.255 ( 0.000 0.391 10.340) 10.348 28.530 ( 0.000 -8.660 -8.788) 12.338 28.880 ( 0.000 -6.513 -7.935) 10.266 ======================= Grid point 101 (38/60) ======================= q-point: ( 0.20 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.647 ( -0.896 19.796 13.120) 23.766 1.977 ( 5.883 15.228 10.941) 19.652 2.146 ( -1.875 5.691 3.050) 6.724 2.355 ( 6.185 3.997 9.064) 11.678 2.485 ( 1.361 11.107 7.842) 13.664 2.728 ( -0.126 6.395 4.810) 8.003 2.801 ( -6.590 4.647 -1.453) 8.194 3.048 ( -1.312 1.018 -1.270) 2.091 3.174 ( -2.511 4.182 -7.551) 8.990 3.207 ( 3.280 3.980 5.883) 7.823 3.438 ( 1.565 1.032 2.185) 2.879 3.663 ( -0.706 0.111 0.329) 0.787 3.887 ( 9.465 1.901 1.682) 9.799 4.003 ( -3.883 2.030 2.921) 5.266 4.227 ( -0.043 11.937 10.577) 15.949 4.387 ( 2.163 2.544 3.242) 4.654 4.568 ( 3.242 7.853 3.841) 9.324 4.634 ( -3.297 1.194 6.564) 7.442 4.881 ( -5.538 -3.013 15.316) 16.563 5.001 ( 2.536 -2.136 6.093) 6.936 5.137 ( 1.404 1.295 7.822) 8.052 5.343 ( 9.793 -9.699 3.986) 14.348 5.407 ( 0.305 -6.103 5.861) 8.467 5.596 ( 3.427 -7.123 8.116) 11.330 5.838 ( -8.876 -3.632 9.542) 13.529 5.987 ( -11.857 -1.183 13.369) 17.908 6.119 ( -3.614 -7.405 -4.338) 9.312 6.258 ( -3.395 -1.752 7.687) 8.584 6.393 ( -1.148 -5.497 -13.333) 14.467 6.468 ( -1.743 2.177 6.014) 6.629 6.611 ( 2.113 -8.170 -3.801) 9.255 6.669 ( 7.439 3.204 3.953) 9.013 6.935 ( -0.701 0.260 -1.737) 1.891 6.988 ( -2.402 -4.384 -5.170) 7.192 7.169 ( -3.143 2.041 -3.665) 5.242 7.302 ( 0.128 1.210 -4.866) 5.016 7.332 ( -2.859 -0.932 -5.880) 6.604 7.537 ( -2.453 -1.287 -5.629) 6.273 7.635 ( -5.181 -2.223 -4.037) 6.935 7.736 ( -1.840 0.540 -2.054) 2.810 7.840 ( -1.788 0.753 -7.864) 8.100 7.986 ( -2.033 -1.189 -6.247) 6.677 8.110 ( 5.262 1.617 -11.990) 13.194 8.412 ( 14.071 -2.010 6.011) 15.432 8.761 ( -2.694 5.943 -5.311) 8.413 8.965 ( 4.755 -6.306 0.009) 7.898 9.281 ( -2.605 -11.870 -7.036) 14.043 9.398 ( -0.519 -3.437 -6.719) 7.565 10.037 ( -1.972 -7.044 2.813) 7.837 10.170 ( 1.072 -8.381 3.114) 9.005 10.416 ( 1.601 4.683 4.036) 6.386 10.536 ( -9.959 -2.009 -6.038) 11.819 10.760 ( 2.305 1.588 -1.763) 3.308 10.959 ( 1.775 2.064 -3.885) 4.744 11.040 ( -1.759 2.587 -1.554) 3.493 11.154 ( 3.209 3.495 -2.574) 5.398 11.482 ( 5.986 -3.161 3.570) 7.653 11.807 ( 3.581 2.811 -2.442) 5.166 11.903 ( -5.593 3.903 3.474) 7.654 12.176 ( 6.132 0.470 -2.335) 6.578 12.656 ( -0.439 -0.750 0.637) 1.077 12.701 ( 1.602 2.097 -2.807) 3.853 12.854 ( 1.122 -3.970 -2.002) 4.586 13.024 ( 1.363 -6.929 -4.490) 8.368 13.526 ( -1.390 0.127 5.735) 5.903 13.592 ( -1.031 2.456 1.395) 3.007 13.850 ( 2.443 8.793 -8.881) 12.734 14.109 ( -1.597 7.817 -12.402) 14.747 15.556 ( -1.869 -1.410 5.134) 5.643 15.747 ( -3.457 -4.072 2.345) 5.834 15.866 ( -1.528 -2.946 -0.444) 3.348 16.178 ( -3.987 0.285 -2.401) 4.663 16.390 ( 1.475 8.559 -0.622) 8.707 16.473 ( 4.759 2.315 -2.818) 5.995 16.736 ( -3.161 5.436 -3.939) 7.420 16.808 ( -0.766 3.863 -5.559) 6.812 17.415 ( 0.797 -1.138 10.962) 11.049 17.679 ( 2.991 0.090 3.988) 4.986 17.760 ( -1.132 -0.723 7.221) 7.345 17.856 ( -0.675 -3.396 5.532) 6.526 25.126 ( 0.572 1.069 1.778) 2.152 25.244 ( -0.343 2.986 1.708) 3.457 25.261 ( 0.788 0.395 -1.326) 1.592 25.367 ( -1.321 1.173 -1.774) 2.504 26.317 ( 2.091 2.293 1.589) 3.487 26.450 ( -0.750 1.286 -1.978) 2.475 26.509 ( -0.085 3.518 -1.751) 3.931 26.536 ( -2.311 2.969 -1.285) 3.976 26.648 ( 3.553 2.661 0.198) 4.443 26.812 ( 0.836 3.918 -1.758) 4.375 26.890 ( 0.430 6.043 3.202) 6.852 27.048 ( 0.443 6.628 -0.244) 6.647 27.950 ( -0.779 -1.803 7.381) 7.638 28.230 ( -2.364 0.876 10.357) 10.659 28.552 ( 2.011 -9.440 -9.647) 13.647 28.865 ( -1.463 -7.194 -8.129) 10.953 ======================= Grid point 102 (39/60) ======================= q-point: ( 0.40 0.22 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.757 ( 11.489 19.731 1.627) 22.890 1.977 ( -7.353 20.286 -1.519) 21.631 2.191 ( 7.480 1.800 2.859) 8.208 2.335 ( -5.275 10.099 6.981) 13.362 2.469 ( -6.230 10.085 -0.534) 11.866 2.646 ( -4.743 5.071 -0.552) 6.965 2.851 ( 10.908 7.037 5.587) 14.132 3.042 ( -0.212 0.572 -1.548) 1.664 3.151 ( 0.343 7.036 -3.447) 7.843 3.213 ( -3.261 2.287 5.566) 6.845 3.471 ( -0.971 4.764 -5.047) 7.008 3.577 ( -3.609 2.530 -5.787) 7.274 3.976 ( 4.231 -1.148 0.422) 4.404 4.127 ( -4.227 -2.113 7.224) 8.633 4.177 ( 11.705 -5.187 7.101) 14.640 4.478 ( -6.240 -9.287 6.566) 12.973 4.624 ( 7.257 11.691 20.212) 24.451 4.655 ( 10.524 7.719 12.465) 18.048 4.863 ( 1.548 0.143 10.640) 10.753 4.970 ( -4.762 1.096 7.192) 8.695 5.119 ( -5.419 5.454 15.302) 17.125 5.380 ( -0.488 -7.415 11.170) 13.417 5.419 ( -1.977 -9.492 9.309) 13.441 5.635 ( -6.725 0.689 8.724) 11.036 5.680 ( -3.305 -5.213 10.950) 12.570 5.778 ( -2.652 -3.555 13.308) 14.028 6.090 ( 0.310 0.654 1.234) 1.431 6.255 ( 2.907 -4.786 6.172) 8.334 6.408 ( 1.345 -7.307 -11.170) 13.416 6.444 ( -0.550 -1.619 2.741) 3.230 6.667 ( 4.362 -8.265 -6.384) 11.318 6.783 ( -1.198 2.352 0.457) 2.679 6.867 ( -1.604 -0.399 2.921) 3.356 6.964 ( -1.831 -0.844 -12.529) 12.691 7.131 ( 1.651 -0.449 -4.021) 4.369 7.225 ( -6.545 1.549 4.626) 8.163 7.312 ( 0.643 0.975 -10.999) 11.061 7.409 ( -6.471 -0.219 -7.712) 10.070 7.602 ( -0.846 -2.936 -8.854) 9.366 7.777 ( 2.534 -1.638 -1.790) 3.508 7.847 ( 3.360 -0.528 -6.444) 7.287 7.952 ( -2.961 -1.929 -5.628) 6.646 8.203 ( 3.943 3.859 -14.466) 15.483 8.552 ( 0.876 3.933 -9.927) 10.714 8.787 ( 5.552 1.894 1.654) 6.095 8.973 ( -3.525 -5.187 5.786) 8.533 9.275 ( 1.804 -12.608 -9.299) 15.769 9.368 ( -2.302 -7.996 -7.505) 11.206 10.024 ( 0.030 -4.899 5.637) 7.468 10.193 ( 1.463 -6.725 3.973) 7.947 10.361 ( -4.880 -1.700 -5.135) 7.285 10.479 ( 1.343 3.509 -0.094) 3.758 10.796 ( 1.306 -0.591 -2.186) 2.614 10.966 ( -0.525 2.882 -0.431) 2.961 10.996 ( -1.809 3.130 -3.364) 4.938 11.237 ( 3.739 2.690 -4.167) 6.212 11.547 ( 1.442 -1.207 5.269) 5.594 11.783 ( -3.372 3.183 7.744) 9.027 11.928 ( 4.168 3.008 -6.016) 7.913 12.246 ( 1.586 -1.063 -5.047) 5.396 12.655 ( 0.156 -1.313 4.239) 4.441 12.725 ( 0.752 0.614 -1.983) 2.208 12.878 ( 0.962 -3.271 -3.237) 4.702 13.035 ( -0.001 -5.329 -3.654) 6.462 13.520 ( 0.922 4.293 4.049) 5.972 13.557 ( -2.439 3.747 2.878) 5.317 13.916 ( 3.810 8.173 -12.972) 15.798 14.063 ( -2.842 4.547 -12.943) 14.010 15.530 ( -0.675 -2.411 3.545) 4.340 15.708 ( -0.747 -1.441 7.361) 7.538 15.794 ( -3.916 -4.296 -4.848) 7.569 16.153 ( 0.131 -4.106 -2.161) 4.642 16.434 ( 3.365 8.207 0.380) 8.878 16.497 ( -2.364 5.753 -0.656) 6.254 16.718 ( 1.519 3.048 -5.707) 6.646 16.777 ( -2.314 4.119 -6.054) 7.679 17.430 ( 0.612 -1.062 11.762) 11.826 17.706 ( -0.286 1.174 8.742) 8.825 17.771 ( 2.301 -1.391 4.240) 5.021 17.836 ( -1.490 -1.950 5.508) 6.030 25.137 ( 0.408 0.886 1.629) 1.899 25.238 ( -0.206 2.945 2.023) 3.579 25.279 ( 0.977 0.224 -1.768) 2.032 25.339 ( -1.355 1.471 -1.137) 2.301 26.364 ( 2.594 3.776 0.813) 4.653 26.430 ( -1.465 3.434 -0.153) 3.737 26.497 ( -1.168 1.738 -1.755) 2.732 26.511 ( -0.133 2.669 -2.492) 3.654 26.694 ( 1.274 3.766 0.507) 4.007 26.843 ( 2.024 3.741 -0.958) 4.360 26.886 ( -0.880 5.296 2.884) 6.095 27.056 ( 0.298 6.784 -0.179) 6.793 27.938 ( -0.405 -1.815 7.792) 8.011 28.190 ( -1.423 1.448 10.348) 10.545 28.586 ( 1.247 -10.337 -11.027) 15.166 28.838 ( -1.031 -8.370 -8.374) 11.885 ======================= Grid point 105 (40/60) ======================= q-point: ( 0.00 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.035 ( 0.000 11.445 14.808) 18.715 2.140 ( 0.000 5.737 3.696) 6.825 2.320 ( 0.000 3.949 13.795) 14.350 2.406 ( 0.000 10.742 -0.260) 10.745 2.658 ( 0.000 0.613 5.903) 5.935 2.744 ( 0.000 5.774 5.521) 7.988 2.940 ( 0.000 -7.587 -2.265) 7.918 3.015 ( 0.000 4.938 -2.008) 5.331 3.262 ( 0.000 3.064 13.117) 13.470 3.345 ( 0.000 -1.950 -4.686) 5.076 3.383 ( 0.000 12.578 -6.409) 14.117 3.556 ( 0.000 1.308 11.089) 11.166 3.827 ( 0.000 -6.361 -5.594) 8.471 4.179 ( 0.000 14.767 0.544) 14.777 4.395 ( 0.000 -12.053 -5.525) 13.259 4.487 ( 0.000 1.013 7.114) 7.186 4.542 ( 0.000 -2.475 8.795) 9.136 4.696 ( 0.000 -3.606 -4.480) 5.751 4.994 ( 0.000 5.753 7.105) 9.142 5.003 ( 0.000 -1.215 6.961) 7.066 5.190 ( 0.000 -0.018 8.095) 8.095 5.241 ( 0.000 23.764 18.315) 30.003 5.308 ( 0.000 3.851 6.255) 7.346 5.503 ( 0.000 -0.559 5.533) 5.561 5.807 ( 0.000 -6.828 -5.732) 8.915 5.936 ( 0.000 -2.141 11.597) 11.793 6.010 ( 0.000 -15.762 3.680) 16.185 6.174 ( 0.000 -9.558 6.576) 11.601 6.246 ( 0.000 -2.816 -8.839) 9.277 6.444 ( 0.000 1.750 -10.349) 10.495 6.600 ( 0.000 1.544 -0.501) 1.623 6.668 ( 0.000 1.076 8.634) 8.701 6.944 ( 0.000 -3.923 -6.246) 7.375 7.047 ( 0.000 3.066 -0.166) 3.070 7.171 ( 0.000 -2.270 2.591) 3.445 7.251 ( 0.000 -1.086 -6.885) 6.971 7.369 ( 0.000 1.652 -7.537) 7.715 7.474 ( 0.000 -5.421 0.386) 5.435 7.627 ( 0.000 -3.909 -8.300) 9.175 7.733 ( 0.000 -3.625 -1.524) 3.933 7.856 ( 0.000 -2.479 -3.149) 4.008 7.990 ( 0.000 -0.773 0.665) 1.020 8.207 ( 0.000 3.345 0.336) 3.362 8.321 ( 0.000 16.026 -7.406) 17.654 8.793 ( 0.000 -7.037 5.787) 9.111 8.826 ( 0.000 0.012 6.600) 6.600 9.080 ( 0.000 -6.597 -6.056) 8.955 9.388 ( 0.000 -2.773 -11.047) 11.390 9.887 ( 0.000 -8.412 -0.329) 8.419 9.924 ( 0.000 -11.633 5.938) 13.061 10.454 ( 0.000 0.572 -3.842) 3.885 10.629 ( 0.000 -4.870 -3.168) 5.810 10.739 ( 0.000 3.353 0.262) 3.364 10.959 ( 0.000 0.684 -1.925) 2.043 11.153 ( 0.000 5.029 -1.244) 5.181 11.189 ( 0.000 2.429 -3.519) 4.276 11.398 ( 0.000 2.478 6.088) 6.573 11.748 ( 0.000 -3.962 -2.902) 4.911 12.046 ( 0.000 2.185 1.794) 2.827 12.125 ( 0.000 1.804 -1.251) 2.195 12.619 ( 0.000 -2.942 0.154) 2.946 12.700 ( 0.000 0.114 -1.264) 1.269 12.791 ( 0.000 -9.628 -5.863) 11.273 12.796 ( 0.000 -2.684 -4.901) 5.588 13.553 ( 0.000 2.541 5.149) 5.742 13.630 ( 0.000 1.426 1.998) 2.454 14.063 ( 0.000 10.470 -8.139) 13.262 14.294 ( 0.000 6.457 -12.840) 14.372 15.506 ( 0.000 -3.427 -2.164) 4.053 15.659 ( 0.000 -6.453 -7.487) 9.884 15.980 ( 0.000 9.188 4.796) 10.364 16.260 ( 0.000 -0.845 -3.727) 3.821 16.456 ( 0.000 4.049 0.693) 4.108 16.569 ( 0.000 7.755 -2.779) 8.237 16.915 ( 0.000 7.939 -0.632) 7.965 16.959 ( 0.000 9.755 -0.280) 9.759 17.373 ( 0.000 -1.562 9.875) 9.998 17.606 ( 0.000 -3.857 3.054) 4.920 17.718 ( 0.000 -4.688 5.802) 7.459 17.743 ( 0.000 -6.867 7.016) 9.817 25.152 ( 0.000 1.766 0.867) 1.967 25.250 ( 0.000 -0.569 -1.047) 1.191 25.316 ( 0.000 3.061 1.151) 3.270 25.398 ( 0.000 0.568 -1.392) 1.504 26.335 ( 0.000 1.858 0.989) 2.105 26.443 ( 0.000 -1.228 -2.269) 2.580 26.573 ( 0.000 2.735 -0.868) 2.869 26.620 ( 0.000 1.790 -2.892) 3.401 26.694 ( 0.000 5.489 3.256) 6.382 26.889 ( 0.000 3.057 -1.568) 3.436 26.991 ( 0.000 3.667 5.382) 6.513 27.096 ( 0.000 -1.490 3.344) 3.661 27.982 ( 0.000 3.798 0.974) 3.921 28.300 ( 0.000 4.197 6.619) 7.837 28.354 ( 0.000 -7.900 -8.174) 11.367 28.734 ( 0.000 -7.135 -5.521) 9.021 ======================= Grid point 106 (41/60) ======================= q-point: ( 0.20 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.036 ( 1.604 14.408 5.359) 15.456 2.093 ( -1.901 -1.791 5.990) 6.535 2.396 ( 3.830 7.055 2.556) 8.425 2.467 ( 2.765 9.770 4.283) 11.020 2.606 ( -1.235 0.935 2.319) 2.789 2.764 ( -1.270 -1.341 4.064) 4.464 2.930 ( -0.168 1.333 -3.307) 3.569 3.072 ( 6.115 5.060 0.796) 7.976 3.246 ( -1.299 -1.482 0.317) 1.995 3.257 ( -1.234 12.294 1.360) 12.431 3.514 ( 6.668 3.265 1.865) 7.655 3.641 ( 5.312 -0.163 6.344) 8.276 3.836 ( 2.822 -3.226 0.349) 4.300 4.149 ( -1.669 13.090 -0.982) 13.233 4.302 ( -9.902 1.830 -6.966) 12.244 4.429 ( -5.639 -9.282 8.223) 13.622 4.555 ( 2.943 2.861 1.959) 4.548 4.703 ( 1.566 -6.659 6.731) 9.597 4.960 ( -3.796 -0.993 7.601) 8.554 5.024 ( -4.985 7.867 20.699) 22.698 5.118 ( 4.587 -1.890 8.705) 10.020 5.314 ( 4.187 4.663 4.204) 7.546 5.383 ( -1.255 1.415 2.271) 2.956 5.516 ( 4.223 5.445 13.841) 15.462 5.768 ( -5.941 -2.688 7.861) 10.213 5.861 ( 0.717 -6.669 0.738) 6.748 6.074 ( 1.886 -6.678 8.929) 11.308 6.142 ( -1.943 -1.328 -5.248) 5.751 6.289 ( 2.252 -6.265 -5.037) 8.348 6.428 ( -1.875 0.267 -4.792) 5.153 6.530 ( -6.422 0.380 3.671) 7.407 6.740 ( 5.302 2.473 5.973) 8.361 6.869 ( -1.763 -5.840 -6.471) 8.893 6.952 ( -6.099 0.272 2.573) 6.625 7.208 ( -2.334 0.756 -4.486) 5.113 7.279 ( 1.509 -2.904 -4.866) 5.864 7.347 ( -1.461 2.268 -4.253) 5.036 7.415 ( -5.574 -8.404 -1.492) 10.194 7.579 ( -3.075 -3.140 -6.647) 7.969 7.771 ( 2.911 0.173 -0.253) 2.927 7.865 ( -0.078 1.102 -1.916) 2.212 7.964 ( -2.164 1.010 -4.277) 4.899 8.203 ( 3.085 5.695 -6.222) 8.981 8.434 ( 8.404 4.916 -3.860) 10.473 8.796 ( 0.667 -7.267 4.409) 8.526 8.867 ( 2.032 -0.362 5.006) 5.415 9.070 ( -0.385 -4.917 -8.231) 9.595 9.342 ( -4.874 -3.895 -9.894) 11.697 9.864 ( -0.089 -8.841 3.632) 9.559 9.978 ( 4.115 -8.226 3.371) 9.796 10.437 ( -3.920 -2.331 -7.238) 8.555 10.550 ( -4.119 2.036 -0.217) 4.600 10.753 ( 1.137 -1.100 1.118) 1.936 10.976 ( 1.218 -0.268 -3.436) 3.655 11.115 ( -2.034 3.971 -0.837) 4.540 11.229 ( 1.219 3.028 -2.553) 4.144 11.475 ( 7.492 2.345 5.871) 9.803 11.807 ( 5.457 -2.400 -1.956) 6.275 11.987 ( -4.338 4.050 1.975) 6.255 12.171 ( 2.954 -0.529 -2.155) 3.695 12.596 ( -1.231 -3.392 0.640) 3.665 12.691 ( -3.234 -4.508 -0.919) 5.624 12.774 ( 3.346 -2.681 -4.718) 6.375 12.864 ( 2.655 -6.276 -5.385) 8.686 13.562 ( 1.321 3.243 4.608) 5.787 13.673 ( 4.260 3.378 0.159) 5.439 14.032 ( -2.697 8.352 -7.921) 11.823 14.263 ( -3.680 5.735 -13.487) 15.111 15.515 ( 1.123 -1.939 -1.690) 2.807 15.650 ( -0.724 -4.443 -5.954) 7.464 15.915 ( -6.462 5.576 3.632) 9.275 16.179 ( -6.005 0.034 -3.495) 6.948 16.535 ( 5.055 3.815 -1.066) 6.423 16.591 ( 3.033 8.515 -1.540) 9.169 16.867 ( -4.040 7.842 0.154) 8.823 16.946 ( -1.860 8.520 -1.578) 8.863 17.388 ( 1.298 -1.188 9.997) 10.151 17.641 ( 3.307 -3.821 3.316) 6.044 17.697 ( -1.260 -4.987 8.210) 9.688 17.761 ( 0.963 -5.684 5.532) 7.990 25.156 ( 0.414 1.699 0.809) 1.927 25.257 ( 0.698 -0.574 -1.156) 1.468 25.311 ( -0.490 2.918 1.302) 3.232 25.387 ( -1.082 0.697 -1.104) 1.696 26.366 ( 3.227 2.319 0.772) 4.048 26.463 ( 1.893 0.021 -2.073) 2.807 26.571 ( -0.449 2.471 -1.097) 2.740 26.604 ( -1.847 2.929 -2.023) 4.010 26.720 ( 2.732 4.117 2.531) 5.551 26.883 ( -0.086 2.411 -0.667) 2.503 26.983 ( -1.113 2.384 4.852) 5.520 27.110 ( 1.247 -0.483 3.109) 3.384 27.969 ( -1.228 3.301 1.296) 3.752 28.271 ( -2.299 2.726 5.792) 6.802 28.381 ( 2.114 -6.094 -7.983) 10.263 28.710 ( -2.363 -7.240 -5.627) 9.469 ======================= Grid point 107 (42/60) ======================= q-point: ( 0.40 0.33 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.067 ( 1.682 -1.776 -2.020) 3.172 2.177 ( 10.182 8.344 -2.096) 13.330 2.358 ( -5.951 5.097 -2.691) 8.285 2.389 ( -8.845 5.485 -3.520) 10.987 2.673 ( 4.345 4.925 0.405) 6.581 2.730 ( -1.632 4.674 3.701) 6.181 2.955 ( 2.728 -3.144 -0.825) 4.244 3.185 ( 5.246 5.134 -0.175) 7.342 3.240 ( -0.306 4.055 1.794) 4.445 3.298 ( 2.550 18.550 2.964) 18.957 3.574 ( 0.941 -1.841 -1.808) 2.747 3.637 ( -3.450 4.796 0.905) 5.977 3.954 ( 7.283 3.150 2.732) 8.392 4.110 ( -5.592 2.772 2.540) 6.738 4.180 ( -1.234 3.331 -1.896) 4.026 4.335 ( -1.237 -2.002 2.713) 3.591 4.618 ( -0.817 -0.747 9.458) 9.523 4.749 ( 5.297 -4.030 14.023) 15.522 4.898 ( 2.370 -6.026 12.482) 14.062 4.988 ( -0.903 -4.271 12.954) 13.670 5.144 ( -11.517 -4.818 12.978) 18.008 5.226 ( 0.876 3.716 9.905) 10.616 5.433 ( 4.117 -0.713 -1.153) 4.334 5.546 ( -4.122 -5.741 5.454) 8.927 5.703 ( -0.004 14.126 15.079) 20.662 5.920 ( 3.892 3.937 11.537) 12.796 6.075 ( -1.834 0.565 4.442) 4.838 6.110 ( -1.161 -4.556 3.215) 5.696 6.301 ( 3.011 -3.296 -7.959) 9.125 6.408 ( -4.051 -3.326 1.495) 5.450 6.448 ( -0.158 -4.300 -0.944) 4.405 6.784 ( -2.668 -1.431 0.720) 3.112 6.856 ( 3.115 -2.483 5.428) 6.733 6.965 ( 4.216 0.417 -9.800) 10.677 7.122 ( -4.148 0.122 -5.599) 6.969 7.228 ( -6.336 -1.763 0.939) 6.644 7.288 ( -1.853 -4.135 -3.710) 5.856 7.383 ( 0.402 -0.939 -3.295) 3.449 7.540 ( -0.973 -3.502 -7.750) 8.559 7.816 ( 0.675 2.762 1.191) 3.083 7.867 ( 1.956 3.427 -3.808) 5.484 7.924 ( -2.435 1.041 -5.326) 5.948 8.285 ( 3.647 2.872 -10.088) 11.104 8.570 ( 5.190 -2.406 -0.933) 5.796 8.803 ( 0.675 -4.021 -1.109) 4.225 8.854 ( -3.125 -2.534 1.187) 4.194 9.092 ( 2.308 -3.741 -8.784) 9.822 9.241 ( -4.706 -5.014 -10.030) 12.161 9.887 ( 1.575 -7.028 4.801) 8.656 10.052 ( 3.098 -5.287 6.558) 8.976 10.320 ( -5.297 -2.345 -8.035) 9.905 10.546 ( 1.231 1.747 -1.046) 2.379 10.754 ( -0.791 -2.483 0.533) 2.660 11.010 ( 2.397 1.159 -1.505) 3.058 11.081 ( -1.771 3.867 -2.858) 5.125 11.226 ( -0.702 -1.959 -1.758) 2.724 11.615 ( 6.171 6.247 5.189) 10.200 11.850 ( -2.451 2.599 5.774) 6.790 11.961 ( 2.267 0.662 -3.749) 4.431 12.204 ( 0.627 -2.016 -2.838) 3.537 12.594 ( 1.067 -4.650 1.154) 4.908 12.631 ( -2.831 -5.821 -0.131) 6.474 12.838 ( 2.696 -2.461 -4.637) 5.901 12.882 ( -0.406 -6.839 -3.703) 7.788 13.599 ( 1.998 5.082 2.914) 6.190 13.743 ( 1.854 9.156 -1.275) 9.429 14.019 ( 2.827 1.149 -9.777) 10.242 14.160 ( -6.838 4.811 -13.564) 15.934 15.541 ( 1.055 2.430 -1.655) 3.124 15.662 ( 3.214 -2.207 -2.153) 4.454 15.774 ( -8.070 0.799 1.313) 8.215 16.099 ( -2.280 -0.950 -4.533) 5.162 16.581 ( 1.011 5.407 -1.535) 5.711 16.678 ( 4.336 10.050 1.510) 11.049 16.796 ( -3.126 5.345 -2.066) 6.528 16.905 ( -1.834 7.371 -2.505) 7.998 17.408 ( 0.680 -0.857 10.464) 10.521 17.675 ( -0.322 -3.970 9.524) 10.323 17.708 ( 2.531 -4.367 3.836) 6.340 17.765 ( -0.509 -4.711 5.383) 7.172 25.163 ( 0.271 1.556 0.688) 1.723 25.273 ( 0.888 -0.577 -1.583) 1.905 25.300 ( -0.630 2.459 1.555) 2.977 25.367 ( -0.806 1.164 -0.404) 1.472 26.439 ( 4.281 3.294 0.247) 5.407 26.495 ( 0.733 2.603 -0.903) 2.851 26.543 ( -2.475 2.285 -1.200) 3.576 26.568 ( -1.273 2.649 -2.304) 3.734 26.775 ( 2.346 3.592 2.107) 4.780 26.897 ( 1.518 1.307 0.524) 2.070 26.949 ( -2.201 0.709 4.487) 5.048 27.128 ( 0.520 0.234 2.496) 2.561 27.949 ( -0.703 2.509 1.938) 3.247 28.236 ( -1.205 2.888 6.066) 6.826 28.416 ( 1.324 -5.611 -9.480) 11.096 28.666 ( -1.766 -7.541 -5.670) 9.599 ======================= Grid point 110 (43/60) ======================= q-point: ( 0.00 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.118 ( 0.000 -2.031 1.121) 2.320 2.153 ( 0.000 -2.911 5.745) 6.441 2.399 ( 0.000 4.811 10.306) 11.373 2.471 ( 0.000 -1.684 4.190) 4.515 2.650 ( 0.000 6.138 6.627) 9.033 2.872 ( 0.000 -7.783 5.230) 9.377 2.978 ( 0.000 9.286 -0.947) 9.334 3.121 ( 0.000 12.134 -1.905) 12.283 3.153 ( 0.000 -5.063 -3.568) 6.193 3.419 ( 0.000 -12.735 -1.906) 12.877 3.547 ( 0.000 10.095 9.357) 13.764 3.608 ( 0.000 4.134 3.741) 5.576 3.903 ( 0.000 11.503 1.584) 11.611 4.115 ( 0.000 -11.732 6.889) 13.605 4.307 ( 0.000 -2.054 7.128) 7.418 4.374 ( 0.000 -6.906 4.370) 8.172 4.672 ( 0.000 11.345 8.144) 13.965 4.690 ( 0.000 2.632 1.731) 3.150 4.933 ( 0.000 -1.599 -2.111) 2.648 5.040 ( 0.000 -2.953 0.857) 3.075 5.281 ( 0.000 8.867 4.961) 10.161 5.416 ( 0.000 -0.327 -4.576) 4.588 5.427 ( 0.000 4.439 -0.108) 4.441 5.576 ( 0.000 -15.436 -3.260) 15.776 5.631 ( 0.000 1.870 10.506) 10.672 5.748 ( 0.000 -11.544 4.064) 12.238 5.951 ( 0.000 10.210 17.101) 19.917 6.068 ( 0.000 -2.367 14.736) 14.924 6.331 ( 0.000 10.569 -8.936) 13.841 6.487 ( 0.000 -0.139 -7.424) 7.425 6.605 ( 0.000 0.063 -3.138) 3.139 6.659 ( 0.000 -2.785 -0.553) 2.839 6.898 ( 0.000 2.193 -7.988) 8.283 7.051 ( 0.000 -6.284 -8.233) 10.357 7.131 ( 0.000 -1.335 2.861) 3.157 7.135 ( 0.000 -4.989 -1.755) 5.289 7.417 ( 0.000 2.278 -5.958) 6.378 7.427 ( 0.000 1.372 3.189) 3.472 7.572 ( 0.000 -0.897 -5.820) 5.889 7.626 ( 0.000 -5.225 1.609) 5.467 7.889 ( 0.000 4.963 0.009) 4.963 7.982 ( 0.000 -1.906 2.591) 3.217 8.298 ( 0.000 5.123 -1.637) 5.378 8.449 ( 0.000 -8.133 -0.265) 8.137 8.751 ( 0.000 8.104 6.291) 10.260 8.834 ( 0.000 -0.219 14.874) 14.876 9.057 ( 0.000 4.519 -6.679) 8.065 9.251 ( 0.000 -10.229 -12.775) 16.365 9.735 ( 0.000 -4.686 3.553) 5.881 9.743 ( 0.000 -4.568 0.725) 4.625 10.463 ( 0.000 1.346 -7.258) 7.382 10.524 ( 0.000 -4.359 -6.096) 7.495 10.840 ( 0.000 5.265 2.099) 5.668 10.932 ( 0.000 -3.122 0.445) 3.153 11.228 ( 0.000 1.701 -1.414) 2.212 11.230 ( 0.000 1.217 -1.773) 2.150 11.493 ( 0.000 6.234 3.276) 7.042 11.633 ( 0.000 -6.517 -0.630) 6.548 12.097 ( 0.000 2.438 0.628) 2.518 12.135 ( 0.000 -0.828 -0.710) 1.091 12.578 ( 0.000 -0.379 -2.215) 2.248 12.622 ( 0.000 -4.795 -3.403) 5.879 12.716 ( 0.000 0.488 -2.992) 3.032 12.743 ( 0.000 -2.066 -3.420) 3.995 13.613 ( 0.000 2.489 2.947) 3.858 13.643 ( 0.000 -0.323 1.953) 1.979 14.255 ( 0.000 7.410 -8.121) 10.994 14.352 ( 0.000 -1.238 -9.993) 10.070 15.479 ( 0.000 1.108 -8.191) 8.265 15.543 ( 0.000 -4.557 -9.708) 10.725 16.148 ( 0.000 5.927 -0.059) 5.927 16.229 ( 0.000 -2.299 -2.922) 3.718 16.561 ( 0.000 5.600 2.864) 6.289 16.644 ( 0.000 -0.952 0.962) 1.353 17.110 ( 0.000 9.126 2.432) 9.444 17.163 ( 0.000 7.021 0.777) 7.064 17.360 ( 0.000 1.132 6.653) 6.748 17.481 ( 0.000 -7.806 3.212) 8.441 17.603 ( 0.000 -4.671 6.950) 8.374 17.609 ( 0.000 -4.372 5.848) 7.302 25.192 ( 0.000 1.942 -0.123) 1.946 25.229 ( 0.000 -1.475 -0.724) 1.643 25.370 ( 0.000 2.040 0.376) 2.075 25.398 ( 0.000 -0.633 -0.544) 0.834 26.374 ( 0.000 1.853 -0.004) 1.853 26.411 ( 0.000 -1.713 -1.117) 2.045 26.623 ( 0.000 1.855 -1.548) 2.416 26.642 ( 0.000 0.123 -2.353) 2.357 26.813 ( 0.000 5.701 3.560) 6.721 26.909 ( 0.000 -2.145 1.940) 2.892 27.031 ( 0.000 0.399 4.502) 4.519 27.040 ( 0.000 -1.775 3.725) 4.127 28.085 ( 0.000 5.417 -1.797) 5.707 28.206 ( 0.000 -6.279 -5.060) 8.064 28.425 ( 0.000 7.215 1.022) 7.287 28.582 ( 0.000 -7.427 -2.929) 7.983 ======================= Grid point 111 (44/60) ======================= q-point: ( 0.20 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.017 ( -4.863 -2.697 1.788) 5.841 2.195 ( 0.903 -0.184 -1.059) 1.404 2.381 ( -3.697 -4.054 2.072) 5.865 2.525 ( 4.874 -0.089 3.913) 6.251 2.675 ( 0.503 9.734 4.083) 10.568 2.880 ( 2.515 1.815 3.509) 4.683 2.933 ( -2.955 -0.773 -3.955) 4.997 3.149 ( 1.701 0.236 -2.145) 2.747 3.222 ( 6.978 5.617 4.949) 10.234 3.415 ( 0.607 -8.866 1.212) 8.969 3.556 ( 3.138 8.112 2.112) 8.950 3.698 ( 6.628 3.898 6.174) 9.861 3.964 ( 5.936 12.030 4.959) 14.302 4.170 ( 4.097 -8.071 6.894) 11.378 4.310 ( 0.252 -2.074 6.248) 6.588 4.396 ( 2.639 -2.005 3.570) 4.871 4.557 ( -7.199 6.092 3.319) 9.998 4.748 ( -0.552 6.197 2.974) 6.896 4.794 ( -7.264 -5.768 5.312) 10.689 5.022 ( -6.312 -3.446 5.142) 8.841 5.214 ( -6.720 5.006 5.860) 10.225 5.325 ( -8.265 -2.464 0.486) 8.638 5.419 ( -0.773 1.405 -3.885) 4.203 5.527 ( -3.846 -6.672 1.667) 7.879 5.660 ( 6.212 -3.895 1.876) 7.568 5.844 ( 5.760 -8.160 5.886) 11.593 5.999 ( 4.254 10.007 16.980) 20.163 6.120 ( 4.009 -2.161 11.882) 12.725 6.337 ( 0.664 8.960 -7.220) 11.526 6.482 ( -0.587 0.429 -3.726) 3.797 6.559 ( -3.988 3.471 -4.873) 7.190 6.722 ( 2.023 -5.793 -6.192) 8.718 6.797 ( -6.226 1.728 4.400) 7.817 6.958 ( -1.990 -0.492 -2.294) 3.076 7.130 ( -0.537 -6.209 -3.041) 6.935 7.201 ( 0.551 -3.226 -6.464) 7.245 7.350 ( -4.677 2.245 -1.034) 5.290 7.401 ( -3.357 1.642 2.452) 4.470 7.513 ( -3.527 -2.318 -3.637) 5.572 7.706 ( 5.222 -3.648 -0.253) 6.375 7.924 ( 2.988 3.718 -2.253) 5.275 8.026 ( 3.439 2.286 -0.095) 4.131 8.278 ( -1.163 3.050 -0.025) 3.264 8.433 ( -1.932 -9.141 3.543) 9.992 8.748 ( 0.827 6.694 2.666) 7.252 8.856 ( 1.450 -0.585 6.984) 7.156 9.062 ( -0.266 2.245 -6.610) 6.986 9.213 ( -3.757 -7.724 -12.675) 15.311 9.721 ( 1.884 -3.573 2.519) 4.760 9.850 ( 7.679 -3.714 3.375) 9.174 10.401 ( -6.135 -0.678 -9.731) 11.524 10.542 ( 0.902 -1.584 -4.773) 5.109 10.765 ( -4.321 1.391 3.513) 5.740 10.960 ( 1.982 -0.799 0.383) 2.171 11.179 ( -1.418 1.787 -0.825) 2.426 11.264 ( -2.891 0.516 -2.598) 3.921 11.560 ( 9.620 4.471 3.204) 11.081 11.732 ( 7.811 -3.843 0.725) 8.735 12.062 ( -3.282 2.524 0.666) 4.193 12.157 ( 1.497 -0.771 -1.212) 2.074 12.531 ( -3.562 -2.241 -2.441) 4.865 12.600 ( -1.934 -2.455 0.285) 3.138 12.732 ( 1.282 -1.294 -2.228) 2.878 12.783 ( 2.722 -1.710 -6.212) 6.994 13.630 ( 2.878 2.329 1.611) 4.038 13.710 ( 6.237 0.389 0.406) 6.262 14.184 ( -6.910 5.239 -7.546) 11.496 14.321 ( -3.852 0.042 -10.559) 11.240 15.496 ( 2.629 0.009 -6.642) 7.143 15.578 ( 3.001 -2.183 -8.648) 9.410 16.015 ( -11.599 2.769 0.968) 11.964 16.181 ( -4.921 0.147 -3.741) 6.183 16.619 ( 4.005 3.510 0.397) 5.340 16.697 ( 5.549 1.420 0.349) 5.738 17.056 ( -4.877 8.567 2.626) 10.201 17.112 ( -4.580 4.853 0.720) 6.712 17.381 ( 1.692 0.659 6.838) 7.075 17.532 ( 4.457 -5.217 3.974) 7.929 17.587 ( -0.382 -4.103 7.577) 8.625 17.640 ( 1.773 -4.452 5.793) 7.518 25.194 ( 0.194 1.734 -0.183) 1.754 25.236 ( 0.787 -1.307 -0.893) 1.768 25.361 ( -1.028 1.655 0.613) 2.042 25.392 ( -0.544 -0.244 -0.232) 0.639 26.412 ( 3.915 2.046 -0.104) 4.419 26.449 ( 3.819 -1.290 -1.210) 4.208 26.612 ( -1.259 1.189 -0.992) 1.996 26.647 ( -0.047 1.096 -2.391) 2.631 26.816 ( 0.563 4.796 3.319) 5.859 26.897 ( -0.714 -1.614 1.572) 2.364 26.985 ( -2.522 -1.167 4.662) 5.427 27.084 ( 1.975 -0.805 3.735) 4.301 28.050 ( -2.857 3.322 -1.571) 4.655 28.235 ( 2.515 -3.615 -3.893) 5.878 28.407 ( -1.943 5.669 -0.302) 6.001 28.565 ( -1.624 -6.415 -3.231) 7.364 ======================= Grid point 112 (45/60) ======================= q-point: ( 0.40 0.44 0.29) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.980 ( 0.188 -2.529 -3.479) 4.305 2.219 ( 2.036 -2.340 -5.294) 6.135 2.290 ( -4.987 -5.363 -3.119) 7.960 2.520 ( -3.437 2.717 -5.586) 7.100 2.690 ( 1.356 4.191 1.719) 4.728 2.881 ( -1.037 -3.237 -8.146) 8.827 2.984 ( 4.205 8.909 5.473) 11.270 3.204 ( 3.149 -1.306 -2.082) 3.995 3.297 ( 0.934 2.563 9.309) 9.701 3.487 ( 7.837 -1.844 4.973) 9.463 3.668 ( 4.036 7.532 4.053) 9.457 3.730 ( -3.391 2.640 0.716) 4.357 4.067 ( 7.311 7.844 8.277) 13.546 4.240 ( 0.677 2.487 3.428) 4.289 4.312 ( -1.165 7.326 1.865) 7.649 4.362 ( -5.775 4.053 2.833) 7.603 4.551 ( 6.660 -4.167 8.027) 11.232 4.686 ( -0.000 -9.353 5.778) 10.994 4.731 ( -3.304 3.286 6.963) 8.378 4.877 ( -6.737 -2.852 11.296) 13.458 5.052 ( -8.860 -4.119 13.526) 16.686 5.254 ( 1.955 -2.794 -2.868) 4.456 5.364 ( -6.056 -7.090 -1.496) 9.443 5.466 ( -1.914 1.632 -0.890) 2.668 5.799 ( 6.478 -1.252 1.629) 6.796 5.906 ( 0.948 -7.756 4.463) 8.999 6.086 ( 5.441 6.911 15.111) 17.484 6.165 ( 0.058 1.386 11.234) 11.320 6.327 ( -2.564 3.734 -5.040) 6.776 6.436 ( -6.063 6.369 -2.920) 9.266 6.489 ( 1.607 2.645 5.778) 6.554 6.725 ( 0.084 -3.597 -4.086) 5.445 6.792 ( 3.325 -2.288 4.639) 6.149 6.988 ( 0.199 2.323 -3.188) 3.949 7.090 ( -0.247 -5.052 -6.447) 8.195 7.161 ( -4.000 -0.343 -7.848) 8.815 7.280 ( -2.388 2.777 8.416) 9.179 7.355 ( -0.994 -2.160 -4.686) 5.255 7.465 ( -1.435 -2.659 -2.446) 3.887 7.778 ( 2.262 -2.902 -0.068) 3.680 7.968 ( 1.338 4.034 -5.960) 7.320 8.069 ( 1.113 9.665 1.579) 9.856 8.275 ( 0.454 -2.467 -1.401) 2.873 8.393 ( -1.666 -12.376 7.658) 14.649 8.761 ( -0.120 0.635 2.129) 2.225 8.889 ( 1.925 5.121 -4.848) 7.310 9.043 ( -0.979 -3.384 -8.636) 9.327 9.148 ( -2.560 -3.054 -12.797) 13.403 9.775 ( 2.571 -2.951 2.869) 4.852 9.986 ( 5.850 -1.266 6.511) 8.844 10.276 ( -5.739 -1.338 -11.169) 12.628 10.546 ( -0.152 -0.887 -4.064) 4.162 10.719 ( -1.065 -0.712 2.991) 3.254 11.022 ( 4.722 0.266 1.164) 4.870 11.145 ( -4.010 2.225 -2.702) 5.323 11.190 ( -2.228 -1.589 -0.461) 2.775 11.754 ( 8.655 6.233 3.076) 11.101 11.854 ( 5.014 -2.565 2.742) 6.264 11.979 ( -5.567 0.981 -0.132) 5.654 12.177 ( 0.627 -0.535 -2.092) 2.249 12.481 ( -1.540 -3.573 -1.505) 4.172 12.571 ( -0.949 -1.173 2.365) 2.805 12.750 ( 0.580 -3.110 -2.268) 3.893 12.811 ( 0.435 -1.437 -6.085) 6.267 13.706 ( 3.946 3.926 -1.519) 5.769 13.853 ( 8.769 1.003 -2.755) 9.246 14.034 ( -8.719 1.162 -6.377) 10.864 14.227 ( -4.751 1.351 -10.526) 11.627 15.588 ( 6.633 1.396 -4.448) 8.108 15.631 ( 3.113 -0.730 -5.791) 6.615 15.791 ( -11.902 0.537 0.438) 11.922 16.097 ( -3.064 0.261 -5.707) 6.482 16.669 ( 1.487 2.629 -1.007) 3.184 16.809 ( 5.436 2.513 -1.221) 6.112 16.963 ( -4.647 8.103 2.315) 9.623 17.037 ( -2.664 3.288 0.815) 4.309 17.405 ( 0.781 0.538 7.749) 7.807 17.580 ( 0.141 -3.353 9.158) 9.754 17.611 ( 2.730 -3.872 4.269) 6.377 17.658 ( 0.090 -4.166 5.676) 7.041 25.197 ( 0.089 1.361 -0.267) 1.390 25.253 ( 0.844 -1.025 -1.549) 2.040 25.338 ( -1.052 1.022 1.383) 2.016 25.384 ( -0.236 0.421 0.224) 0.532 26.497 ( 4.714 1.907 -0.338) 5.097 26.532 ( 4.538 0.700 -1.230) 4.754 26.574 ( -2.651 0.690 -0.625) 2.810 26.618 ( -3.411 1.592 -1.916) 4.224 26.840 ( 1.855 2.568 2.918) 4.306 26.900 ( 0.746 -0.900 1.574) 1.961 26.938 ( -2.481 -0.946 4.780) 5.467 27.102 ( 0.217 -1.455 3.172) 3.497 28.007 ( -1.405 2.066 -0.781) 2.618 28.283 ( 2.369 0.472 0.309) 2.435 28.364 ( -2.310 0.793 -5.125) 5.677 28.537 ( -1.072 -4.294 -3.672) 5.751 ======================= Grid point 135 (46/60) ======================= q-point: ( 0.00 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 60 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.116 ( 0.000 0.000 6.108) 6.108 2.133 ( 0.000 0.000 12.769) 12.769 2.254 ( 0.000 0.000 -4.038) 4.038 2.368 ( 0.000 0.000 -9.529) 9.529 2.569 ( 0.000 0.000 3.824) 3.824 2.599 ( 0.000 0.000 8.170) 8.170 2.608 ( 0.000 0.000 39.253) 39.253 2.789 ( 0.000 0.000 27.970) 27.970 3.118 ( 0.000 0.000 12.443) 12.443 3.135 ( 0.000 0.000 -5.446) 5.446 3.469 ( 0.000 0.000 -17.244) 17.244 3.511 ( 0.000 0.000 -27.823) 27.823 3.573 ( 0.000 0.000 -0.958) 0.958 3.629 ( 0.000 0.000 -19.006) 19.006 3.998 ( 0.000 0.000 41.637) 41.637 4.330 ( 0.000 0.000 10.997) 10.997 4.467 ( 0.000 0.000 -10.952) 10.952 4.799 ( 0.000 0.000 -15.338) 15.338 5.200 ( 0.000 0.000 6.025) 6.025 5.223 ( 0.000 0.000 7.699) 7.699 5.764 ( 0.000 0.000 20.062) 20.062 5.836 ( 0.000 0.000 6.720) 6.720 5.883 ( 0.000 0.000 2.220) 2.220 5.889 ( 0.000 0.000 3.885) 3.885 6.001 ( 0.000 0.000 18.805) 18.805 6.130 ( 0.000 0.000 1.842) 1.842 6.200 ( 0.000 0.000 1.484) 1.484 6.287 ( 0.000 0.000 -4.579) 4.579 6.305 ( 0.000 0.000 6.617) 6.617 6.448 ( 0.000 0.000 -10.256) 10.256 6.489 ( 0.000 0.000 -13.213) 13.213 6.564 ( 0.000 0.000 -17.485) 17.485 6.872 ( 0.000 0.000 -12.066) 12.066 6.911 ( 0.000 0.000 -10.169) 10.169 7.218 ( 0.000 0.000 18.839) 18.839 7.229 ( 0.000 0.000 14.689) 14.689 7.261 ( 0.000 0.000 -6.814) 6.814 7.311 ( 0.000 0.000 -6.297) 6.297 7.648 ( 0.000 0.000 -13.933) 13.933 7.660 ( 0.000 0.000 -13.664) 13.664 7.755 ( 0.000 0.000 -1.124) 1.124 7.761 ( 0.000 0.000 -2.060) 2.060 8.302 ( 0.000 0.000 11.064) 11.064 8.319 ( 0.000 0.000 10.702) 10.702 8.745 ( 0.000 0.000 -4.718) 4.718 8.850 ( 0.000 0.000 -17.770) 17.770 9.428 ( 0.000 0.000 9.447) 9.447 9.620 ( 0.000 0.000 -9.111) 9.111 10.179 ( 0.000 0.000 2.782) 2.782 10.272 ( 0.000 0.000 -6.884) 6.884 10.476 ( 0.000 0.000 6.341) 6.341 10.523 ( 0.000 0.000 3.786) 3.786 10.715 ( 0.000 0.000 -1.418) 1.418 10.744 ( 0.000 0.000 -3.956) 3.956 10.860 ( 0.000 0.000 0.256) 0.256 10.936 ( 0.000 0.000 -5.523) 5.523 11.667 ( 0.000 0.000 1.966) 1.966 11.698 ( 0.000 0.000 -0.796) 0.796 11.982 ( 0.000 0.000 1.993) 1.993 11.991 ( 0.000 0.000 2.203) 2.203 12.482 ( 0.000 0.000 -1.782) 1.782 12.495 ( 0.000 0.000 -2.260) 2.260 12.985 ( 0.000 0.000 -0.192) 0.192 12.988 ( 0.000 0.000 -0.688) 0.688 13.610 ( 0.000 0.000 5.534) 5.534 13.731 ( 0.000 0.000 -6.366) 6.366 13.765 ( 0.000 0.000 2.548) 2.548 13.797 ( 0.000 0.000 -0.723) 0.723 15.758 ( 0.000 0.000 9.621) 9.621 15.946 ( 0.000 0.000 -8.602) 8.602 16.121 ( 0.000 0.000 7.990) 7.990 16.195 ( 0.000 0.000 1.572) 1.572 16.275 ( 0.000 0.000 0.894) 0.894 16.312 ( 0.000 0.000 -2.802) 2.802 16.526 ( 0.000 0.000 -1.545) 1.545 16.590 ( 0.000 0.000 -7.467) 7.467 17.570 ( 0.000 0.000 5.479) 5.479 17.652 ( 0.000 0.000 -2.201) 2.201 17.795 ( 0.000 0.000 5.660) 5.660 17.902 ( 0.000 0.000 -4.721) 4.721 25.146 ( 0.000 0.000 2.397) 2.397 25.194 ( 0.000 0.000 -2.331) 2.331 25.224 ( 0.000 0.000 3.094) 3.094 25.289 ( 0.000 0.000 -3.166) 3.166 26.341 ( 0.000 0.000 1.003) 1.003 26.341 ( 0.000 0.000 3.060) 3.060 26.373 ( 0.000 0.000 -2.379) 2.379 26.417 ( 0.000 0.000 -4.354) 4.354 26.636 ( 0.000 0.000 3.952) 3.952 26.645 ( 0.000 0.000 0.258) 0.258 26.667 ( 0.000 0.000 -1.911) 1.911 26.718 ( 0.000 0.000 -4.003) 4.003 28.417 ( 0.000 0.000 16.289) 16.289 28.474 ( 0.000 0.000 10.171) 10.171 28.669 ( 0.000 0.000 -8.713) 8.713 28.730 ( 0.000 0.000 -14.480) 14.480 ======================= Grid point 136 (47/60) ======================= q-point: ( 0.20 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.997 ( -8.911 0.000 10.557) 13.815 2.120 ( -1.925 0.000 13.951) 14.083 2.198 ( -6.810 0.000 -5.863) 8.986 2.346 ( -5.070 0.000 -3.083) 5.934 2.449 ( -10.818 0.000 32.867) 34.602 2.469 ( -3.224 0.000 7.812) 8.452 2.587 ( -3.940 0.000 -5.974) 7.156 2.816 ( 3.098 0.000 27.961) 28.132 3.028 ( -6.768 0.000 12.210) 13.960 3.154 ( -7.265 0.000 -16.922) 18.415 3.355 ( -6.157 0.000 -21.150) 22.028 3.461 ( -0.053 0.000 -23.865) 23.865 3.723 ( 17.823 0.000 3.900) 18.245 3.873 ( 15.727 0.000 -9.773) 18.517 4.166 ( 3.292 0.000 14.635) 15.001 4.351 ( 13.235 0.000 23.766) 27.203 4.456 ( 1.004 0.000 2.504) 2.697 5.008 ( 16.660 0.000 -8.733) 18.810 5.181 ( -0.431 0.000 11.914) 11.922 5.335 ( 11.681 0.000 3.123) 12.091 5.770 ( 1.282 0.000 17.091) 17.139 5.792 ( -5.850 0.000 11.128) 12.572 5.890 ( 4.131 0.000 11.651) 12.362 5.966 ( -4.899 0.000 -5.623) 7.458 5.984 ( 0.067 0.000 10.500) 10.501 6.063 ( 1.207 0.000 6.217) 6.333 6.202 ( -0.165 0.000 -1.910) 1.918 6.267 ( -1.021 0.000 -0.572) 1.170 6.283 ( -1.751 0.000 7.996) 8.186 6.391 ( -4.856 0.000 -9.905) 11.032 6.547 ( 2.108 0.000 -14.893) 15.041 6.574 ( 0.553 0.000 -13.710) 13.721 6.784 ( -8.388 0.000 -8.630) 12.034 6.882 ( -1.560 0.000 -14.463) 14.547 6.976 ( -16.098 0.000 16.092) 22.762 7.273 ( -6.528 0.000 1.156) 6.629 7.308 ( 2.590 0.000 -0.672) 2.676 7.377 ( 7.728 0.000 -8.330) 11.363 7.520 ( -6.460 0.000 -3.937) 7.565 7.721 ( 0.982 0.000 -12.058) 12.098 7.748 ( 0.434 0.000 -1.053) 1.139 7.781 ( 1.831 0.000 -5.022) 5.346 7.989 ( -13.492 0.000 11.057) 17.444 8.288 ( -16.287 0.000 -16.706) 23.331 8.838 ( 18.016 0.000 16.628) 24.516 9.165 ( 19.397 0.000 -14.389) 24.151 9.413 ( -1.835 0.000 11.428) 11.575 9.637 ( 1.252 0.000 -10.287) 10.363 10.158 ( -1.968 0.000 2.925) 3.525 10.265 ( -0.793 0.000 -7.927) 7.967 10.314 ( -11.032 0.000 7.782) 13.500 10.453 ( -8.553 0.000 -4.640) 9.730 10.754 ( 4.349 0.000 -0.828) 4.427 10.787 ( 4.446 0.000 -3.692) 5.779 10.915 ( 4.415 0.000 3.755) 5.796 10.999 ( 2.945 0.000 -3.711) 4.737 11.685 ( 1.772 0.000 2.249) 2.863 11.728 ( 3.502 0.000 -1.710) 3.897 11.882 ( -5.847 0.000 7.447) 9.469 12.018 ( -1.736 0.000 -5.432) 5.703 12.508 ( 5.693 0.000 4.085) 7.008 12.606 ( 8.466 0.000 -5.185) 9.927 12.931 ( -4.367 0.000 2.616) 5.090 12.989 ( -1.722 0.000 -3.241) 3.670 13.609 ( -0.012 0.000 5.078) 5.078 13.717 ( -4.048 0.000 3.353) 5.256 13.722 ( -0.976 0.000 -6.035) 6.114 13.771 ( -2.895 0.000 -2.071) 3.559 15.781 ( 2.500 0.000 8.613) 8.968 15.952 ( 1.246 0.000 -7.973) 8.070 16.059 ( -5.545 0.000 8.915) 10.499 16.188 ( -1.888 0.000 -2.235) 2.926 16.293 ( 2.424 0.000 2.916) 3.792 16.372 ( 5.152 0.000 -4.740) 7.001 16.483 ( -3.671 0.000 1.164) 3.851 16.588 ( -0.920 0.000 -7.799) 7.853 17.595 ( 2.622 0.000 6.150) 6.686 17.686 ( 3.426 0.000 -2.500) 4.241 17.779 ( -1.853 0.000 6.084) 6.360 17.885 ( -1.865 0.000 -4.147) 4.547 25.155 ( 0.968 0.000 2.396) 2.584 25.203 ( 0.881 0.000 -2.263) 2.429 25.219 ( -0.590 0.000 2.930) 2.989 25.279 ( -1.044 0.000 -2.908) 3.090 26.337 ( -0.253 0.000 1.443) 1.465 26.341 ( -0.102 0.000 2.996) 2.998 26.378 ( 0.469 0.000 -2.627) 2.669 26.411 ( -0.599 0.000 -3.742) 3.790 26.646 ( 0.894 0.000 3.215) 3.337 26.648 ( 0.359 0.000 0.720) 0.805 26.679 ( 1.142 0.000 -2.215) 2.492 26.717 ( -0.082 0.000 -3.496) 3.497 28.413 ( -0.355 0.000 16.246) 16.250 28.454 ( -1.822 0.000 11.708) 11.849 28.682 ( 1.222 0.000 -10.713) 10.782 28.727 ( -0.269 0.000 -14.681) 14.684 ======================= Grid point 137 (48/60) ======================= q-point: ( 0.40 0.00 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 90 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.901 ( 0.228 0.000 17.805) 17.807 2.014 ( -9.941 0.000 24.929) 26.838 2.120 ( -0.032 0.000 2.351) 2.351 2.173 ( -5.820 0.000 11.813) 13.169 2.412 ( 1.814 0.000 -1.899) 2.627 2.454 ( -1.071 0.000 -2.234) 2.478 2.536 ( 2.750 0.000 -13.424) 13.703 2.755 ( -19.036 0.000 -19.100) 26.967 2.901 ( 5.381 0.000 26.298) 26.843 2.996 ( -5.258 0.000 15.783) 16.636 3.413 ( 5.324 0.000 -20.098) 20.791 3.466 ( -0.515 0.000 -24.838) 24.844 4.007 ( 9.168 0.000 3.914) 9.969 4.106 ( -4.425 0.000 6.405) 7.785 4.119 ( 12.735 0.000 -4.818) 13.616 4.319 ( -8.433 0.000 -10.039) 13.111 4.912 ( 32.987 0.000 36.946) 49.530 5.208 ( 2.985 0.000 20.696) 20.910 5.226 ( 4.994 0.000 11.956) 12.957 5.468 ( -21.442 0.000 12.798) 24.971 5.669 ( 13.451 0.000 12.467) 18.339 5.793 ( 0.376 0.000 13.017) 13.022 5.867 ( -1.751 0.000 2.225) 2.831 5.913 ( -0.868 0.000 9.333) 9.374 6.056 ( 1.500 0.000 -1.422) 2.067 6.082 ( -2.137 0.000 0.410) 2.176 6.200 ( -0.029 0.000 0.548) 0.549 6.263 ( -2.789 0.000 -2.739) 3.909 6.312 ( 4.022 0.000 -3.322) 5.217 6.333 ( 8.345 0.000 -6.792) 10.760 6.489 ( -6.153 0.000 -15.063) 16.271 6.545 ( -7.198 0.000 -2.607) 7.655 6.649 ( -4.773 0.000 0.006) 4.773 6.684 ( -12.117 0.000 3.698) 12.668 6.918 ( 5.623 0.000 -21.311) 22.040 7.070 ( -11.229 0.000 -16.490) 19.950 7.345 ( 2.543 0.000 7.171) 7.609 7.420 ( -5.316 0.000 8.601) 10.111 7.550 ( 9.603 0.000 -11.840) 15.244 7.687 ( -4.936 0.000 -12.768) 13.689 7.776 ( 2.719 0.000 -0.600) 2.785 7.839 ( -4.447 0.000 3.554) 5.693 7.847 ( 5.644 0.000 -7.930) 9.733 8.009 ( -12.595 0.000 -13.462) 18.435 9.148 ( 14.386 0.000 17.452) 22.617 9.341 ( -6.805 0.000 15.226) 16.677 9.470 ( 13.296 0.000 -12.841) 18.485 9.627 ( -3.772 0.000 -11.921) 12.503 10.126 ( -0.865 0.000 3.379) 3.488 10.158 ( -5.198 0.000 5.448) 7.530 10.254 ( 0.212 0.000 -9.302) 9.305 10.305 ( -6.002 0.000 -8.580) 10.471 10.861 ( 6.518 0.000 -0.030) 6.518 10.888 ( 6.016 0.000 -2.085) 6.367 10.945 ( -1.720 0.000 2.309) 2.880 10.987 ( -4.022 0.000 -1.649) 4.347 11.726 ( 2.781 0.000 4.870) 5.608 11.789 ( -4.242 0.000 8.010) 9.063 11.824 ( 6.545 0.000 -4.380) 7.875 11.942 ( -5.862 0.000 -6.783) 8.965 12.658 ( 9.569 0.000 5.816) 11.198 12.772 ( 9.082 0.000 -5.232) 10.481 12.822 ( -7.751 0.000 4.830) 9.132 12.916 ( -6.258 0.000 -4.486) 7.700 13.616 ( 1.048 0.000 3.857) 3.997 13.651 ( -2.842 0.000 3.147) 4.240 13.704 ( -0.618 0.000 -4.953) 4.992 13.716 ( -2.259 0.000 -3.449) 4.123 15.847 ( 4.669 0.000 8.166) 9.407 15.948 ( -6.204 0.000 8.982) 10.917 16.010 ( 5.065 0.000 -7.701) 9.218 16.115 ( -5.636 0.000 -6.921) 8.925 16.351 ( 3.536 0.000 4.782) 5.947 16.416 ( -3.597 0.000 4.745) 5.954 16.470 ( 5.125 0.000 -6.652) 8.397 16.548 ( -3.353 0.000 -7.707) 8.405 17.658 ( 4.017 0.000 6.968) 8.043 17.729 ( -3.502 0.000 6.845) 7.688 17.761 ( 4.407 0.000 -2.869) 5.259 17.835 ( -3.527 0.000 -3.292) 4.825 25.178 ( 1.452 0.000 2.371) 2.781 25.203 ( -1.160 0.000 2.568) 2.818 25.224 ( 1.465 0.000 -2.148) 2.600 25.254 ( -1.621 0.000 -2.386) 2.885 26.335 ( -0.004 0.000 2.253) 2.253 26.337 ( -0.232 0.000 2.800) 2.810 26.388 ( 0.607 0.000 -2.972) 3.034 26.399 ( -0.618 0.000 -3.180) 3.240 26.656 ( 0.407 0.000 1.550) 1.602 26.658 ( 0.262 0.000 2.262) 2.277 26.701 ( 1.073 0.000 -2.611) 2.823 26.714 ( -0.380 0.000 -2.860) 2.885 28.409 ( 0.147 0.000 15.749) 15.750 28.423 ( -1.360 0.000 14.190) 14.255 28.704 ( 1.071 0.000 -13.597) 13.639 28.720 ( -0.623 0.000 -14.773) 14.787 ======================= Grid point 140 (49/60) ======================= q-point: ( 0.00 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.005 ( 0.000 -6.325 16.215) 17.405 2.093 ( 0.000 -1.165 5.015) 5.149 2.340 ( 0.000 -1.374 -0.734) 1.558 2.369 ( 0.000 3.831 -5.635) 6.815 2.591 ( 0.000 6.253 18.849) 19.859 2.645 ( 0.000 3.745 25.265) 25.541 2.764 ( 0.000 5.219 0.931) 5.301 2.824 ( 0.000 13.265 14.352) 19.543 3.161 ( 0.000 1.793 4.699) 5.029 3.225 ( 0.000 4.270 -0.126) 4.272 3.434 ( 0.000 -3.252 -26.940) 27.135 3.486 ( 0.000 -1.415 -16.714) 16.774 3.588 ( 0.000 1.838 -0.044) 1.839 3.681 ( 0.000 8.734 -15.038) 17.390 4.176 ( 0.000 5.999 18.042) 19.013 4.423 ( 0.000 -5.603 -8.621) 10.282 4.464 ( 0.000 20.581 29.361) 35.856 4.907 ( 0.000 5.171 -2.123) 5.590 5.118 ( 0.000 -6.102 7.747) 9.862 5.202 ( 0.000 -1.047 5.052) 5.159 5.537 ( 0.000 -13.764 10.454) 17.284 5.634 ( 0.000 -16.736 0.069) 16.736 5.761 ( 0.000 -9.471 6.264) 11.355 5.789 ( 0.000 -7.762 2.648) 8.201 6.037 ( 0.000 3.384 7.643) 8.359 6.146 ( 0.000 -2.651 -4.959) 5.623 6.174 ( 0.000 0.613 3.899) 3.947 6.284 ( 0.000 1.912 -0.812) 2.077 6.376 ( 0.000 -6.775 -8.133) 10.586 6.438 ( 0.000 8.031 7.467) 10.966 6.554 ( 0.000 0.515 -3.162) 3.204 6.643 ( 0.000 3.678 -20.313) 20.644 6.909 ( 0.000 1.726 1.518) 2.298 6.975 ( 0.000 1.824 -7.040) 7.273 7.056 ( 0.000 -1.437 -5.019) 5.220 7.104 ( 0.000 -1.502 0.946) 1.775 7.353 ( 0.000 -0.529 8.524) 8.540 7.452 ( 0.000 3.802 6.058) 7.152 7.625 ( 0.000 -0.199 -9.549) 9.551 7.693 ( 0.000 -1.271 -6.016) 6.149 7.756 ( 0.000 0.377 -4.084) 4.101 7.792 ( 0.000 6.111 -9.432) 11.239 8.315 ( 0.000 -0.035 12.313) 12.313 8.340 ( 0.000 0.791 12.501) 12.526 8.697 ( 0.000 -2.998 -8.946) 9.435 8.736 ( 0.000 -7.826 -16.599) 18.351 9.365 ( 0.000 -4.358 4.757) 6.451 9.482 ( 0.000 -10.340 -6.385) 12.153 10.242 ( 0.000 3.493 2.042) 4.046 10.273 ( 0.000 -3.605 -0.351) 3.623 10.506 ( 0.000 0.605 5.568) 5.601 10.521 ( 0.000 2.071 -0.545) 2.142 10.648 ( 0.000 -3.713 -3.804) 5.316 10.720 ( 0.000 2.618 -6.411) 6.925 10.973 ( 0.000 6.236 1.523) 6.420 11.014 ( 0.000 3.448 -2.374) 4.186 11.586 ( 0.000 -4.682 4.314) 6.367 11.667 ( 0.000 -0.227 -2.956) 2.965 12.024 ( 0.000 2.413 2.168) 3.244 12.040 ( 0.000 2.864 1.275) 3.135 12.543 ( 0.000 4.454 -2.350) 5.036 12.544 ( 0.000 3.741 -1.787) 4.146 12.971 ( 0.000 -2.440 1.679) 2.962 13.013 ( 0.000 0.730 -2.209) 2.327 13.602 ( 0.000 0.770 1.404) 1.601 13.637 ( 0.000 -4.351 -1.652) 4.653 13.742 ( 0.000 -1.772 4.865) 5.178 13.845 ( 0.000 1.951 -5.486) 5.822 15.755 ( 0.000 -0.558 9.114) 9.131 15.920 ( 0.000 -4.616 -6.502) 7.974 16.038 ( 0.000 -6.464 4.748) 8.020 16.093 ( 0.000 -3.043 -1.970) 3.625 16.331 ( 0.000 1.843 0.242) 1.858 16.334 ( 0.000 2.150 1.518) 2.632 16.576 ( 0.000 4.957 -2.480) 5.542 16.614 ( 0.000 2.681 -5.979) 6.553 17.582 ( 0.000 0.951 6.105) 6.179 17.662 ( 0.000 1.014 -1.430) 1.753 17.840 ( 0.000 2.911 4.629) 5.468 17.921 ( 0.000 1.042 -3.025) 3.200 25.153 ( 0.000 0.623 2.499) 2.576 25.202 ( 0.000 0.676 -2.286) 2.384 25.242 ( 0.000 1.665 2.871) 3.319 25.302 ( 0.000 1.220 -2.937) 3.180 26.323 ( 0.000 0.320 2.680) 2.699 26.379 ( 0.000 0.729 -2.913) 3.003 26.413 ( 0.000 4.238 0.875) 4.328 26.455 ( 0.000 2.906 -3.320) 4.412 26.605 ( 0.000 0.534 3.010) 3.057 26.670 ( 0.000 1.536 -3.367) 3.701 26.772 ( 0.000 8.242 1.994) 8.479 26.822 ( 0.000 8.263 -2.793) 8.722 28.302 ( 0.000 -7.968 12.662) 14.960 28.499 ( 0.000 0.039 12.351) 12.352 28.535 ( 0.000 -9.142 -10.147) 13.658 28.751 ( 0.000 -0.838 -12.235) 12.264 ======================= Grid point 141 (50/60) ======================= q-point: ( 0.20 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.942 ( -7.412 -3.922 13.843) 16.185 2.065 ( -2.042 -2.925 11.338) 11.886 2.182 ( -11.149 -2.127 8.961) 14.461 2.319 ( -6.048 5.231 -3.120) 8.583 2.481 ( -3.102 7.728 8.333) 11.781 2.623 ( -9.473 5.342 -1.097) 10.931 2.725 ( -4.259 8.281 -1.217) 9.391 2.888 ( 8.754 6.524 25.153) 27.420 3.110 ( -7.409 5.025 1.310) 9.047 3.172 ( -4.877 0.621 -15.313) 16.083 3.326 ( -2.264 3.514 -5.400) 6.829 3.572 ( -3.806 5.401 -14.629) 16.052 3.744 ( 18.777 3.327 -1.950) 19.169 3.853 ( 15.928 -1.221 -5.242) 16.813 4.172 ( -0.944 1.100 6.771) 6.925 4.384 ( -0.200 -2.511 -9.782) 10.101 4.635 ( 15.224 19.215 33.848) 41.793 5.033 ( 5.088 -4.072 10.295) 12.184 5.094 ( 3.513 -0.807 6.652) 7.566 5.283 ( 7.764 -4.794 1.374) 9.227 5.535 ( 0.346 -14.651 12.869) 19.503 5.637 ( 0.036 -15.017 -1.444) 15.086 5.780 ( 2.493 -7.792 7.894) 11.369 5.856 ( 6.794 -5.270 2.620) 8.989 6.015 ( -2.790 -0.615 4.260) 5.130 6.067 ( -9.796 -1.338 3.805) 10.594 6.208 ( 3.384 3.207 -0.885) 4.745 6.273 ( -0.750 -1.943 -1.158) 2.384 6.343 ( 0.307 0.825 -2.581) 2.727 6.415 ( -2.607 3.621 2.173) 4.964 6.587 ( -0.040 0.894 -6.160) 6.225 6.652 ( 0.157 2.686 -14.102) 14.356 6.842 ( -9.251 2.893 -6.403) 11.617 6.870 ( -3.460 2.968 1.278) 4.735 7.010 ( -8.236 2.030 0.823) 8.522 7.137 ( 2.019 -2.459 -7.412) 8.066 7.317 ( -0.824 -2.245 2.265) 3.294 7.480 ( -0.954 -0.441 -2.576) 2.782 7.537 ( -7.513 5.101 -0.699) 9.108 7.677 ( -0.814 -1.518 -4.464) 4.785 7.746 ( 1.405 -0.590 -1.244) 1.967 7.843 ( 2.326 4.729 -9.577) 10.931 8.011 ( -11.598 0.967 9.301) 14.898 8.315 ( -16.682 2.155 -18.307) 24.861 8.764 ( 18.205 -5.521 15.058) 24.262 9.050 ( 16.641 -8.883 -11.070) 21.872 9.357 ( -1.098 -4.536 4.906) 6.771 9.486 ( 0.035 -10.918 -6.800) 12.862 10.228 ( -2.564 0.459 2.367) 3.519 10.243 ( -2.752 0.107 2.594) 3.783 10.388 ( -5.090 4.935 -0.580) 7.114 10.452 ( -8.068 -0.377 -5.158) 9.584 10.700 ( 5.285 -1.444 1.694) 5.735 10.789 ( 4.467 1.432 -6.259) 7.821 10.998 ( 1.848 4.072 2.364) 5.058 11.044 ( 1.286 2.520 -2.019) 3.476 11.626 ( 3.674 -3.689 2.843) 5.932 11.685 ( 2.465 0.032 -2.297) 3.370 11.950 ( -4.340 3.688 6.437) 8.595 12.072 ( -0.066 3.192 -5.078) 5.999 12.563 ( 4.852 4.314 2.747) 7.050 12.639 ( 7.123 2.301 -4.116) 8.542 12.942 ( -2.976 -0.785 2.610) 4.036 13.005 ( -1.320 0.673 -3.310) 3.627 13.583 ( -1.797 -1.248 2.063) 3.007 13.629 ( -0.697 -2.656 -2.228) 3.536 13.719 ( -2.158 -0.751 4.514) 5.059 13.826 ( -1.780 2.382 -5.869) 6.579 15.748 ( -0.323 -3.215 7.644) 8.299 15.886 ( -2.709 -6.583 -5.334) 8.895 16.002 ( -3.470 -4.409 6.265) 8.410 16.115 ( 1.541 -2.692 -3.704) 4.831 16.338 ( 1.512 2.006 2.939) 3.866 16.387 ( 4.001 1.854 -1.452) 4.642 16.537 ( -3.214 4.938 -1.252) 6.023 16.609 ( -1.146 2.405 -6.833) 7.334 17.605 ( 2.342 0.815 6.857) 7.292 17.695 ( 3.304 1.042 -1.603) 3.817 17.829 ( -1.171 3.287 4.669) 5.829 17.908 ( -1.447 1.382 -2.569) 3.256 25.161 ( 0.781 0.499 2.527) 2.692 25.210 ( 0.797 0.615 -2.244) 2.459 25.238 ( -0.472 1.726 2.662) 3.208 25.293 ( -0.973 1.272 -2.681) 3.123 26.328 ( 0.470 0.720 2.628) 2.765 26.380 ( 0.011 1.091 -1.952) 2.237 26.408 ( -0.406 3.577 0.043) 3.600 26.442 ( -1.148 2.427 -2.620) 3.751 26.627 ( 1.846 1.274 2.324) 3.230 26.684 ( 1.475 2.007 -3.040) 3.930 26.777 ( 0.342 8.197 1.913) 8.424 26.825 ( 0.275 8.405 -2.670) 8.823 28.297 ( -0.432 -7.830 13.054) 15.228 28.477 ( -1.817 -0.509 12.445) 12.587 28.548 ( 0.970 -8.924 -10.702) 13.968 28.743 ( -0.781 -1.401 -12.696) 12.797 ======================= Grid point 142 (51/60) ======================= q-point: ( 0.40 0.11 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.816 ( -4.311 -1.751 15.070) 15.772 1.963 ( -5.881 -4.086 21.748) 22.897 2.078 ( -1.477 0.896 -5.717) 5.972 2.258 ( 0.359 2.805 -0.074) 2.829 2.427 ( -5.326 2.404 4.182) 7.185 2.510 ( -1.188 7.535 5.339) 9.311 2.657 ( 0.198 7.721 -12.014) 14.283 2.862 ( -11.120 11.163 -13.826) 20.963 3.044 ( 1.848 10.749 12.193) 16.359 3.153 ( 3.117 7.616 12.011) 14.560 3.303 ( -1.801 -2.423 -6.725) 7.371 3.521 ( -1.201 -0.018 -12.039) 12.099 4.041 ( 9.102 1.402 1.168) 9.283 4.095 ( 8.262 1.956 -1.339) 8.596 4.166 ( 3.175 1.571 -3.119) 4.720 4.339 ( -5.613 1.982 -13.092) 14.382 4.995 ( 21.434 4.947 27.878) 35.511 5.034 ( 0.228 -10.611 18.372) 21.217 5.228 ( 4.254 -1.524 19.502) 20.018 5.340 ( -5.547 -11.609 7.720) 15.005 5.563 ( 0.543 -4.087 21.485) 21.877 5.665 ( 2.389 -8.250 -1.262) 8.681 5.844 ( 0.869 -10.001 2.610) 10.372 5.869 ( -2.766 -5.062 4.126) 7.092 5.952 ( -0.343 -0.357 8.090) 8.105 6.013 ( 6.118 -2.084 1.022) 6.544 6.193 ( -4.468 -1.310 -3.122) 5.606 6.288 ( -3.301 -1.433 3.306) 4.887 6.358 ( 2.535 3.008 -0.684) 3.993 6.401 ( 1.104 1.849 -7.731) 8.025 6.525 ( -4.532 1.074 -3.519) 5.838 6.603 ( -1.463 2.318 -5.948) 6.549 6.725 ( -3.286 11.063 -6.870) 13.431 6.804 ( -6.722 7.548 1.586) 10.231 6.916 ( 3.045 -0.729 -14.618) 14.950 7.063 ( -8.516 0.990 -15.376) 17.605 7.307 ( 0.255 -4.654 3.731) 5.970 7.424 ( -4.049 2.450 14.099) 14.872 7.478 ( 1.161 -4.503 -10.328) 11.327 7.708 ( 3.429 1.138 -9.554) 10.215 7.782 ( 1.534 -0.127 -1.687) 2.284 7.833 ( -0.175 2.056 -1.435) 2.513 7.918 ( -3.843 2.692 -4.926) 6.803 8.062 ( -8.048 4.851 -15.330) 17.981 9.047 ( 11.327 -7.595 14.292) 19.755 9.252 ( 0.940 -8.129 7.057) 10.805 9.349 ( 4.177 -9.775 -8.553) 13.643 9.463 ( -2.918 -11.759 -8.014) 14.526 10.152 ( -2.958 1.234 4.337) 5.393 10.231 ( 1.130 3.571 -0.318) 3.759 10.293 ( -5.308 2.604 -2.529) 6.431 10.374 ( -0.925 5.426 -5.956) 8.110 10.792 ( 3.969 -2.230 2.221) 5.066 10.865 ( 3.533 -0.692 -4.183) 5.519 10.988 ( -2.986 0.078 2.195) 3.706 11.047 ( -0.117 4.268 -3.363) 5.435 11.675 ( 1.404 -1.646 4.039) 4.581 11.763 ( 4.301 -0.692 -3.960) 5.887 11.885 ( -2.459 4.440 7.930) 9.415 12.046 ( -1.787 5.473 -7.679) 9.597 12.688 ( 7.189 2.301 4.749) 8.918 12.773 ( 6.296 0.403 -1.696) 6.533 12.864 ( -5.274 1.361 2.322) 5.921 12.956 ( -3.536 2.682 -4.729) 6.486 13.551 ( -1.212 -3.015 2.632) 4.182 13.623 ( 0.128 -0.998 -4.355) 4.469 13.679 ( -1.716 0.378 4.932) 5.236 13.795 ( -1.145 2.950 -6.221) 6.980 15.750 ( 0.340 -7.940 5.405) 9.610 15.854 ( -0.522 -10.246 -4.611) 11.247 15.938 ( -2.674 -1.250 9.577) 10.021 16.130 ( 0.181 -0.764 -8.384) 8.420 16.379 ( 2.828 2.487 5.000) 6.259 16.427 ( -1.348 2.421 4.211) 5.041 16.511 ( 2.009 3.473 -6.059) 7.267 16.570 ( -2.988 2.006 -7.529) 8.345 17.652 ( 2.083 0.056 8.081) 8.345 17.762 ( 3.306 1.228 -0.973) 3.659 17.801 ( -1.680 3.686 3.638) 5.444 17.873 ( -1.909 2.481 -1.746) 3.585 25.177 ( 0.734 0.078 2.627) 2.729 25.226 ( 0.078 1.438 0.824) 1.659 25.229 ( 0.402 0.917 -0.928) 1.366 25.272 ( -1.131 1.558 -2.076) 2.831 26.337 ( 0.403 1.666 2.631) 3.140 26.379 ( -0.047 2.155 0.993) 2.373 26.402 ( -0.190 1.961 -2.665) 3.315 26.423 ( -0.655 1.655 -2.350) 2.948 26.654 ( 0.852 2.250 2.297) 3.327 26.712 ( 1.124 2.766 -3.077) 4.287 26.780 ( 0.049 8.154 2.110) 8.422 26.830 ( 0.208 8.594 -2.602) 8.981 28.290 ( -0.225 -7.574 13.677) 15.636 28.448 ( -1.007 -0.624 13.995) 14.045 28.562 ( 0.497 -9.353 -12.956) 15.987 28.729 ( -0.534 -2.328 -13.414) 13.625 ======================= Grid point 145 (52/60) ======================= q-point: ( 0.00 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.047 ( 0.000 11.970 11.546) 16.631 2.118 ( 0.000 4.448 3.510) 5.666 2.352 ( 0.000 -2.948 5.493) 6.234 2.365 ( 0.000 4.760 6.280) 7.880 2.766 ( 0.000 6.514 10.005) 11.938 2.783 ( 0.000 6.416 5.798) 8.647 2.918 ( 0.000 6.060 -0.893) 6.126 3.019 ( 0.000 0.030 1.107) 1.107 3.135 ( 0.000 2.819 -3.104) 4.193 3.251 ( 0.000 -2.408 0.183) 2.415 3.459 ( 0.000 3.311 -6.364) 7.174 3.460 ( 0.000 0.125 -2.054) 2.057 3.715 ( 0.000 8.977 -0.052) 8.977 3.881 ( 0.000 10.246 -19.229) 21.788 4.309 ( 0.000 -2.712 4.984) 5.674 4.354 ( 0.000 12.898 -2.064) 13.062 4.813 ( 0.000 -10.052 7.866) 12.764 4.837 ( 0.000 0.385 6.892) 6.903 5.103 ( 0.000 2.346 12.558) 12.775 5.167 ( 0.000 -4.927 -1.333) 5.104 5.315 ( 0.000 0.491 12.351) 12.361 5.361 ( 0.000 -1.553 13.746) 13.834 5.598 ( 0.000 -7.167 9.243) 11.696 5.647 ( 0.000 -4.765 4.770) 6.742 6.021 ( 0.000 -8.127 -11.364) 13.970 6.124 ( 0.000 3.263 -9.983) 10.503 6.150 ( 0.000 -14.622 1.145) 14.666 6.191 ( 0.000 0.075 1.315) 1.317 6.327 ( 0.000 2.879 1.921) 3.461 6.505 ( 0.000 -4.605 5.456) 7.140 6.576 ( 0.000 4.505 4.052) 6.059 6.667 ( 0.000 -1.179 -12.510) 12.566 6.910 ( 0.000 -1.620 -3.115) 3.511 6.938 ( 0.000 3.902 1.513) 4.185 7.133 ( 0.000 1.908 -4.738) 5.108 7.211 ( 0.000 5.300 -1.992) 5.662 7.299 ( 0.000 -2.789 4.233) 5.069 7.382 ( 0.000 -6.898 -6.355) 9.379 7.648 ( 0.000 0.262 -0.768) 0.811 7.658 ( 0.000 -0.684 -3.115) 3.189 7.812 ( 0.000 3.812 -2.401) 4.505 7.883 ( 0.000 0.740 -5.605) 5.654 8.259 ( 0.000 -3.887 8.767) 9.590 8.275 ( 0.000 -6.099 7.046) 9.319 8.702 ( 0.000 5.920 -9.442) 11.145 8.706 ( 0.000 4.365 -9.229) 10.209 9.274 ( 0.000 -9.010 0.316) 9.015 9.289 ( 0.000 -3.169 -1.647) 3.572 10.119 ( 0.000 -9.361 4.552) 10.409 10.218 ( 0.000 -6.733 -1.900) 6.996 10.420 ( 0.000 -5.461 1.568) 5.681 10.552 ( 0.000 -1.459 -8.761) 8.882 10.713 ( 0.000 6.675 5.103) 8.402 10.827 ( 0.000 6.784 -4.687) 8.246 11.055 ( 0.000 2.473 -0.125) 2.476 11.065 ( 0.000 2.578 -1.467) 2.966 11.539 ( 0.000 -0.288 8.416) 8.421 11.692 ( 0.000 0.820 -5.855) 5.912 12.061 ( 0.000 1.281 2.296) 2.630 12.085 ( 0.000 1.540 0.183) 1.550 12.615 ( 0.000 1.832 -2.231) 2.887 12.616 ( 0.000 2.572 -1.977) 3.244 12.865 ( 0.000 -6.928 2.523) 7.373 12.926 ( 0.000 -8.728 -3.409) 9.370 13.632 ( 0.000 2.803 1.848) 3.357 13.653 ( 0.000 1.352 1.972) 2.391 13.754 ( 0.000 5.933 2.156) 6.312 13.900 ( 0.000 4.661 -9.786) 10.840 15.671 ( 0.000 -8.411 3.504) 9.112 15.737 ( 0.000 -10.558 -3.442) 11.105 15.979 ( 0.000 2.730 7.058) 7.568 16.126 ( 0.000 3.609 -7.227) 8.078 16.386 ( 0.000 3.408 0.628) 3.466 16.386 ( 0.000 4.146 0.737) 4.211 16.720 ( 0.000 7.502 -1.931) 7.747 16.726 ( 0.000 9.036 -2.199) 9.300 17.590 ( 0.000 -0.646 6.927) 6.957 17.674 ( 0.000 -0.472 -1.219) 1.307 17.870 ( 0.000 -0.602 3.596) 3.646 17.914 ( 0.000 -2.165 -0.318) 2.189 25.168 ( 0.000 0.697 2.551) 2.644 25.217 ( 0.000 0.551 -2.165) 2.234 25.288 ( 0.000 2.524 2.185) 3.338 25.335 ( 0.000 1.714 -2.329) 2.892 26.340 ( 0.000 1.007 2.407) 2.609 26.395 ( 0.000 0.493 -2.957) 2.998 26.499 ( 0.000 3.673 0.156) 3.676 26.520 ( 0.000 3.075 -1.941) 3.636 26.658 ( 0.000 4.307 3.697) 5.676 26.736 ( 0.000 4.464 -3.876) 5.912 26.956 ( 0.000 8.312 3.298) 8.942 27.015 ( 0.000 8.643 -2.376) 8.964 28.134 ( 0.000 -7.072 9.707) 12.010 28.337 ( 0.000 -8.952 -10.047) 13.456 28.476 ( 0.000 -1.708 11.068) 11.199 28.694 ( 0.000 -4.040 -10.189) 10.961 ======================= Grid point 146 (53/60) ======================= q-point: ( 0.20 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.982 ( -5.801 8.014 15.805) 18.646 2.101 ( -2.426 8.168 3.808) 9.333 2.206 ( -7.415 4.369 1.900) 8.813 2.393 ( -5.160 0.268 -8.293) 9.771 2.645 ( -5.824 5.723 6.797) 10.624 2.786 ( -4.583 10.284 -2.023) 11.439 2.909 ( 1.118 9.141 4.969) 10.464 2.999 ( -1.171 2.306 12.230) 12.501 3.114 ( 1.432 -3.108 -4.102) 5.343 3.235 ( -0.561 2.821 -7.080) 7.642 3.424 ( -0.458 4.107 3.452) 5.384 3.639 ( -1.401 0.961 -7.049) 7.251 3.828 ( 11.618 2.430 -0.808) 11.897 3.889 ( 9.026 7.794 -7.163) 13.911 4.244 ( -4.664 1.539 0.618) 4.950 4.336 ( 0.213 2.804 -6.432) 7.020 4.792 ( 3.593 -6.454 15.838) 17.476 5.027 ( 1.472 -7.038 -1.309) 7.308 5.142 ( 4.617 0.197 12.715) 13.529 5.223 ( 10.927 11.028 11.811) 19.507 5.285 ( -0.420 -4.279 10.316) 11.176 5.407 ( 4.405 -4.705 7.439) 9.843 5.574 ( 1.008 -8.980 7.039) 11.454 5.757 ( 7.414 -4.214 2.890) 9.005 5.957 ( -3.344 -6.026 -3.187) 7.593 6.062 ( -6.305 -3.958 2.626) 7.894 6.152 ( -3.540 -4.497 -3.636) 6.780 6.227 ( 1.935 -3.647 -0.193) 4.133 6.310 ( 0.174 -1.524 7.605) 7.758 6.491 ( -0.452 1.646 -7.547) 7.737 6.589 ( -0.117 -0.316 3.473) 3.489 6.659 ( -1.813 -0.079 -8.112) 8.312 6.874 ( -2.022 2.729 -3.443) 4.836 6.935 ( -0.766 1.391 -3.812) 4.129 7.078 ( -5.833 5.470 2.642) 8.422 7.189 ( -1.226 -0.527 1.331) 1.885 7.258 ( -3.638 0.218 -5.422) 6.533 7.393 ( 0.396 -5.106 -9.894) 11.141 7.603 ( -4.077 -0.015 4.357) 5.967 7.686 ( 0.756 1.078 -4.279) 4.477 7.778 ( -0.112 3.742 2.450) 4.474 7.915 ( 0.743 1.327 -8.184) 8.324 8.009 ( -10.176 0.141 10.765) 14.814 8.331 ( -7.537 -1.671 -16.018) 17.781 8.718 ( 10.139 3.227 6.028) 12.229 8.891 ( 10.456 -4.410 -8.353) 14.090 9.226 ( -3.840 -8.502 2.449) 9.645 9.302 ( -1.008 -5.589 -3.801) 6.834 10.114 ( -0.110 -7.462 4.897) 8.926 10.212 ( -0.384 -6.384 -2.025) 6.708 10.401 ( -2.394 -4.070 0.233) 4.728 10.478 ( -4.040 2.426 -2.832) 5.498 10.754 ( 2.810 4.697 2.359) 5.960 10.847 ( 1.706 3.672 -5.677) 6.972 11.043 ( -1.237 1.984 1.544) 2.802 11.095 ( 1.514 2.418 -3.197) 4.285 11.594 ( 5.073 0.405 6.822) 8.511 11.724 ( 3.622 1.941 -5.380) 6.769 12.010 ( -3.421 2.233 5.740) 7.046 12.114 ( 1.000 0.899 -4.167) 4.378 12.639 ( 3.351 1.876 -0.016) 3.841 12.667 ( 4.417 0.114 -1.971) 4.838 12.860 ( -0.714 -6.441 2.609) 6.986 12.935 ( 0.586 -7.560 -4.233) 8.684 13.611 ( -1.749 4.311 2.783) 5.422 13.652 ( 0.021 1.470 1.514) 2.110 13.743 ( -1.163 5.533 0.917) 5.728 13.882 ( -1.882 4.057 -9.668) 10.652 15.639 ( -2.986 -6.968 3.274) 8.258 15.707 ( -2.679 -9.125 -3.639) 10.183 15.958 ( -2.347 0.911 6.983) 7.423 16.095 ( -2.138 0.096 -5.878) 6.256 16.407 ( 2.702 5.244 2.035) 6.240 16.444 ( 4.641 3.776 -1.083) 6.081 16.678 ( -3.613 8.205 -0.885) 9.009 16.712 ( -2.081 7.696 -3.700) 8.789 17.611 ( 2.004 -0.688 7.657) 7.945 17.708 ( 3.240 -0.516 -1.631) 3.664 17.868 ( -0.383 -0.226 3.723) 3.749 17.909 ( -0.501 -1.689 -0.084) 1.764 25.173 ( 0.497 0.594 2.562) 2.677 25.223 ( 0.605 0.453 -2.228) 2.353 25.285 ( -0.349 2.555 2.044) 3.291 25.327 ( -0.784 1.808 -2.073) 2.860 26.355 ( 1.566 1.565 2.178) 3.106 26.403 ( 0.938 1.074 -2.496) 2.875 26.489 ( -1.081 3.773 -0.142) 3.927 26.503 ( -1.750 3.291 -1.417) 3.988 26.688 ( 2.720 4.128 3.046) 5.806 26.756 ( 2.036 4.339 -3.388) 5.870 26.957 ( 0.061 8.018 3.261) 8.655 27.017 ( 0.258 8.517 -2.491) 8.878 28.132 ( -0.128 -6.949 10.067) 12.233 28.342 ( 0.560 -8.920 -10.150) 13.524 28.454 ( -2.116 -1.973 10.775) 11.156 28.674 ( -1.901 -4.514 -10.406) 11.501 ======================= Grid point 147 (54/60) ======================= q-point: ( 0.40 0.22 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.921 ( 0.636 8.923 12.293) 15.203 2.003 ( -7.057 10.316 5.719) 13.745 2.121 ( -1.539 3.575 -7.655) 8.587 2.251 ( -6.904 -1.587 -13.247) 15.022 2.591 ( -0.025 11.770 9.896) 15.377 2.781 ( 2.500 12.863 1.333) 13.172 2.833 ( -4.288 10.650 4.520) 12.338 3.099 ( 5.815 -2.986 7.098) 9.650 3.119 ( -3.057 5.842 -8.273) 10.579 3.229 ( 3.085 6.186 -8.844) 11.225 3.366 ( -4.583 1.723 7.808) 9.216 3.504 ( -7.279 1.563 -3.826) 8.370 4.022 ( 6.741 -2.409 2.962) 7.747 4.110 ( 8.197 -2.160 -1.934) 8.695 4.204 ( 0.976 1.417 -1.241) 2.122 4.370 ( 1.239 0.212 -11.649) 11.717 4.869 ( 4.449 -3.153 11.771) 12.973 4.981 ( -2.133 -6.239 1.953) 6.877 5.147 ( -4.381 0.523 18.089) 18.619 5.239 ( 0.116 -3.930 12.579) 13.179 5.496 ( 5.833 -8.161 2.383) 10.311 5.563 ( 15.020 5.424 15.009) 21.916 5.618 ( 1.783 -10.314 11.707) 15.704 5.838 ( -10.204 1.915 -1.361) 10.471 5.887 ( 3.749 -5.885 11.775) 13.687 5.999 ( 2.293 -2.024 6.029) 6.760 6.089 ( -2.481 -7.135 -4.640) 8.866 6.194 ( 0.996 -6.290 0.550) 6.392 6.361 ( 0.513 -1.113 4.846) 4.999 6.432 ( -10.660 -0.008 -2.897) 11.047 6.536 ( 0.716 0.888 -18.063) 18.099 6.634 ( -0.349 0.300 -0.089) 0.468 6.863 ( -0.162 1.654 2.736) 3.201 6.961 ( -0.264 5.160 -0.398) 5.182 6.978 ( 2.126 7.654 -6.534) 10.286 7.132 ( -8.232 3.923 -9.190) 12.947 7.195 ( -0.510 -4.002 1.328) 4.247 7.394 ( -0.196 -2.982 -11.799) 12.171 7.508 ( -3.876 3.554 16.366) 17.190 7.740 ( 4.682 1.893 -5.346) 7.354 7.795 ( 0.005 2.129 0.047) 2.129 7.871 ( -0.208 0.581 1.441) 1.567 7.946 ( -2.952 1.634 -7.268) 8.013 8.180 ( -5.459 5.603 -20.848) 22.268 8.911 ( 8.926 -4.496 7.889) 12.733 9.058 ( 6.541 -7.995 -2.916) 10.734 9.135 ( -4.797 -10.199 0.472) 11.281 9.236 ( -5.380 -9.012 -5.891) 12.036 10.124 ( 0.754 -4.590 4.326) 6.352 10.213 ( 0.431 -3.586 -4.227) 5.560 10.343 ( -2.294 -0.979 6.044) 6.538 10.459 ( 0.236 2.478 -3.414) 4.225 10.796 ( 1.666 1.597 2.350) 3.294 10.882 ( 1.610 2.145 -5.439) 6.064 11.000 ( -2.564 2.097 2.805) 4.340 11.105 ( -0.134 1.799 -7.152) 7.376 11.675 ( 2.853 1.971 6.820) 7.651 11.806 ( 3.789 3.130 -5.833) 7.627 11.954 ( -2.263 2.321 8.203) 8.820 12.115 ( -0.467 1.202 -7.461) 7.571 12.713 ( 3.580 -1.213 2.018) 4.286 12.756 ( 4.622 -2.311 0.705) 5.216 12.828 ( -2.978 -4.463 1.806) 5.662 12.936 ( -0.400 -5.261 -5.853) 7.880 13.584 ( -0.910 6.543 3.829) 7.636 13.665 ( 1.321 1.459 3.781) 4.262 13.715 ( -1.650 6.386 -4.359) 7.906 13.843 ( -1.755 2.055 -9.041) 9.436 15.590 ( -1.669 -5.917 2.881) 6.790 15.664 ( -1.515 -6.945 -4.543) 8.436 15.913 ( -1.684 -1.230 8.872) 9.114 16.070 ( -0.596 -3.980 -6.191) 7.384 16.463 ( 2.645 5.483 3.312) 6.930 16.527 ( 3.726 6.125 0.599) 7.194 16.608 ( -3.379 6.299 -2.827) 7.687 16.663 ( -2.556 7.376 -5.037) 9.291 17.647 ( 1.393 -0.980 8.832) 8.995 17.769 ( 2.671 -0.941 -2.750) 3.947 17.854 ( -0.942 0.631 4.300) 4.447 17.898 ( -0.566 -0.697 0.359) 0.967 25.182 ( 0.365 0.359 2.600) 2.650 25.235 ( 0.548 0.180 -2.476) 2.542 25.278 ( -0.291 2.635 1.791) 3.199 25.312 ( -0.645 2.107 -1.513) 2.673 26.391 ( 2.030 2.996 1.819) 4.051 26.426 ( 1.304 2.360 -0.837) 2.824 26.461 ( -1.821 3.231 -1.334) 3.941 26.467 ( -1.719 2.650 -1.294) 3.413 26.733 ( 1.610 4.726 2.868) 5.758 26.796 ( 1.717 4.593 -3.068) 5.785 26.955 ( -0.283 7.241 3.497) 8.046 27.021 ( 0.088 8.108 -2.840) 8.591 28.131 ( 0.019 -6.662 10.695) 12.600 28.356 ( 0.728 -8.894 -10.801) 14.011 28.414 ( -1.685 -2.369 10.767) 11.153 28.640 ( -1.282 -5.379 -10.794) 12.128 ======================= Grid point 150 (55/60) ======================= q-point: ( 0.00 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.246 ( 0.000 4.472 5.961) 7.452 2.270 ( 0.000 -5.608 5.452) 7.821 2.418 ( 0.000 17.762 4.204) 18.253 2.554 ( 0.000 10.491 3.407) 11.030 2.688 ( 0.000 -5.872 -1.530) 6.068 2.804 ( 0.000 -0.355 -3.760) 3.777 2.957 ( 0.000 -7.590 7.972) 11.007 3.015 ( 0.000 1.532 4.950) 5.181 3.166 ( 0.000 -2.397 -6.567) 6.991 3.258 ( 0.000 6.904 -10.566) 12.622 3.566 ( 0.000 8.114 8.751) 11.934 3.575 ( 0.000 8.998 3.780) 9.760 3.891 ( 0.000 4.684 3.257) 5.705 4.081 ( 0.000 7.485 -16.910) 18.493 4.326 ( 0.000 6.506 13.093) 14.621 4.543 ( 0.000 2.504 -5.085) 5.669 4.687 ( 0.000 -7.703 3.181) 8.335 4.697 ( 0.000 -1.622 4.810) 5.076 5.056 ( 0.000 2.351 0.523) 2.408 5.069 ( 0.000 -3.295 -0.509) 3.334 5.349 ( 0.000 -3.483 3.649) 5.044 5.456 ( 0.000 -2.103 -3.305) 3.917 5.477 ( 0.000 -0.468 15.129) 15.136 5.683 ( 0.000 -7.190 4.365) 8.411 5.802 ( 0.000 -2.642 -4.900) 5.567 5.966 ( 0.000 -14.774 -12.889) 19.606 5.988 ( 0.000 4.696 18.078) 18.678 6.241 ( 0.000 3.917 3.495) 5.250 6.380 ( 0.000 -1.752 4.315) 4.657 6.388 ( 0.000 -4.378 15.513) 16.119 6.610 ( 0.000 -3.955 -12.820) 13.416 6.636 ( 0.000 2.303 -3.293) 4.018 6.975 ( 0.000 5.066 -2.195) 5.521 6.994 ( 0.000 -1.070 9.579) 9.639 7.142 ( 0.000 2.521 -11.439) 11.714 7.203 ( 0.000 -5.857 -0.523) 5.880 7.255 ( 0.000 -1.975 2.469) 3.162 7.304 ( 0.000 0.893 -11.205) 11.241 7.611 ( 0.000 -3.659 2.961) 4.707 7.660 ( 0.000 -0.492 -3.189) 3.227 7.859 ( 0.000 0.053 1.043) 1.044 7.905 ( 0.000 5.902 -5.236) 7.890 8.204 ( 0.000 0.270 0.860) 0.901 8.246 ( 0.000 3.533 -1.811) 3.970 8.835 ( 0.000 5.532 1.237) 5.669 8.899 ( 0.000 10.911 -1.588) 11.026 9.088 ( 0.000 -8.127 4.656) 9.366 9.187 ( 0.000 -7.829 -6.669) 10.284 9.927 ( 0.000 -8.194 4.367) 9.285 10.015 ( 0.000 -10.757 -0.246) 10.760 10.321 ( 0.000 -3.958 -1.475) 4.224 10.459 ( 0.000 -6.301 -10.731) 12.444 10.845 ( 0.000 5.293 6.826) 8.638 10.944 ( 0.000 3.305 -2.082) 3.906 11.124 ( 0.000 4.358 -0.790) 4.429 11.135 ( 0.000 3.785 -1.691) 4.146 11.539 ( 0.000 0.045 7.227) 7.227 11.668 ( 0.000 -2.766 -5.161) 5.855 12.087 ( 0.000 1.404 1.945) 2.399 12.114 ( 0.000 1.221 -0.553) 1.341 12.605 ( 0.000 -3.060 -0.676) 3.133 12.633 ( 0.000 -1.958 -3.564) 4.066 12.737 ( 0.000 -6.585 -0.547) 6.608 12.738 ( 0.000 -3.851 -0.915) 3.958 13.666 ( 0.000 0.864 4.533) 4.615 13.679 ( 0.000 1.355 2.252) 2.628 13.945 ( 0.000 10.011 -1.779) 10.167 14.046 ( 0.000 7.792 -10.406) 13.001 15.478 ( 0.000 -8.280 0.142) 8.282 15.528 ( 0.000 -8.804 -4.805) 10.030 16.081 ( 0.000 4.984 4.947) 7.023 16.177 ( 0.000 1.029 -4.493) 4.609 16.486 ( 0.000 6.259 1.956) 6.557 16.525 ( 0.000 7.990 -1.854) 8.203 16.921 ( 0.000 11.170 0.938) 11.209 16.943 ( 0.000 11.328 -1.101) 11.381 17.548 ( 0.000 -3.197 6.603) 7.336 17.628 ( 0.000 -3.970 -1.246) 4.161 17.809 ( 0.000 -4.996 2.857) 5.755 17.826 ( 0.000 -5.976 1.384) 6.134 25.182 ( 0.000 0.676 1.923) 2.038 25.221 ( 0.000 -0.139 -1.794) 1.800 25.341 ( 0.000 2.303 1.310) 2.649 25.369 ( 0.000 1.400 -1.458) 2.021 26.360 ( 0.000 0.903 1.547) 1.791 26.398 ( 0.000 -0.151 -2.125) 2.131 26.565 ( 0.000 2.584 0.091) 2.586 26.578 ( 0.000 2.323 -1.295) 2.659 26.766 ( 0.000 5.571 3.685) 6.680 26.838 ( 0.000 4.848 -3.233) 5.827 27.084 ( 0.000 3.344 3.625) 4.931 27.128 ( 0.000 1.398 -0.383) 1.449 28.044 ( 0.000 -1.077 5.195) 5.305 28.184 ( 0.000 -5.323 -8.148) 9.733 28.449 ( 0.000 -0.512 7.720) 7.737 28.603 ( 0.000 -4.298 -7.251) 8.429 ======================= Grid point 151 (56/60) ======================= q-point: ( 0.20 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.159 ( -5.640 5.740 6.428) 10.299 2.216 ( -5.645 -5.215 3.493) 8.442 2.380 ( -4.993 12.795 0.545) 13.746 2.501 ( -9.601 8.806 -6.417) 14.522 2.657 ( 2.667 -0.901 6.865) 7.420 2.818 ( -0.478 -5.301 -7.538) 9.228 2.940 ( -0.909 -6.158 9.998) 11.777 3.065 ( 2.679 2.406 -0.607) 3.652 3.172 ( 4.839 9.230 -0.517) 10.435 3.293 ( 3.477 5.439 -7.536) 9.923 3.540 ( -0.323 7.608 7.817) 10.913 3.706 ( 4.901 5.756 -0.598) 7.584 3.934 ( 4.292 5.741 3.911) 8.165 4.065 ( -0.325 9.040 -9.536) 13.143 4.253 ( -4.814 3.349 7.169) 9.262 4.410 ( -8.922 2.589 -6.409) 11.286 4.699 ( 5.309 -4.030 10.472) 12.414 4.831 ( 6.308 -6.530 0.914) 9.125 5.094 ( 2.794 -2.418 6.961) 7.881 5.200 ( 7.762 -3.099 -2.570) 8.744 5.321 ( -1.395 -5.687 6.113) 8.465 5.436 ( 1.119 -1.499 10.777) 10.939 5.517 ( 1.602 2.199 5.758) 6.369 5.647 ( -3.861 -13.202 -1.492) 13.835 5.785 ( 1.611 0.250 -9.687) 9.824 5.947 ( -0.181 -10.082 -3.678) 10.734 6.048 ( 3.161 -0.438 7.884) 8.506 6.210 ( -8.610 2.812 14.499) 17.096 6.296 ( 2.069 0.732 3.661) 4.268 6.474 ( 2.814 -2.608 6.102) 7.208 6.567 ( -2.690 -2.143 -11.798) 12.289 6.662 ( 1.071 0.221 -0.968) 1.461 6.927 ( -3.966 2.255 0.538) 4.594 7.011 ( 0.318 2.924 4.685) 5.532 7.106 ( -0.922 -1.376 -4.082) 4.405 7.188 ( -4.955 1.615 2.142) 5.635 7.234 ( 0.668 -2.758 -4.210) 5.077 7.346 ( 2.354 -0.105 -11.294) 11.538 7.569 ( -3.328 -2.654 6.574) 7.832 7.689 ( 2.707 -1.064 -5.788) 6.478 7.852 ( 0.015 3.091 1.059) 3.268 7.929 ( 1.304 3.013 -3.859) 5.066 8.108 ( -5.593 8.574 4.133) 11.040 8.299 ( 1.950 1.043 -9.859) 10.104 8.823 ( -0.401 2.330 1.202) 2.652 8.910 ( 0.686 6.220 -5.000) 8.009 9.035 ( -4.373 -8.675 6.636) 11.765 9.175 ( -3.040 -7.854 -6.420) 10.590 9.946 ( 1.845 -8.140 4.729) 9.593 10.039 ( 3.028 -8.393 -1.374) 9.028 10.303 ( -1.829 -4.640 1.046) 5.096 10.456 ( -0.095 -3.957 -9.149) 9.968 10.837 ( -0.602 3.067 5.735) 6.532 10.924 ( -0.901 3.105 -2.583) 4.138 11.108 ( -1.549 3.641 0.640) 4.008 11.155 ( 0.426 3.087 -3.774) 4.894 11.614 ( 7.224 1.196 7.040) 10.158 11.737 ( 6.746 -0.510 -4.821) 8.307 12.054 ( -2.854 2.093 3.886) 5.256 12.124 ( 0.297 0.362 -2.781) 2.820 12.603 ( 0.331 -4.412 0.977) 4.531 12.662 ( 2.325 -2.103 -4.433) 5.429 12.716 ( -0.495 -5.464 1.946) 5.821 12.774 ( 1.914 -5.794 -3.466) 7.018 13.672 ( 0.806 1.166 4.752) 4.959 13.696 ( 1.917 2.738 1.524) 3.674 13.914 ( -3.143 8.848 -2.068) 9.615 14.011 ( -3.821 7.049 -10.319) 13.068 15.491 ( 1.348 -6.235 0.098) 6.380 15.536 ( 0.922 -6.837 -4.353) 8.158 16.009 ( -6.797 2.892 4.870) 8.848 16.101 ( -6.492 0.386 -4.184) 7.733 16.534 ( 3.653 6.079 1.102) 7.177 16.565 ( 4.299 7.406 -1.498) 8.693 16.881 ( -3.881 10.941 1.321) 11.684 16.914 ( -3.039 10.781 -1.675) 11.325 17.571 ( 2.146 -2.885 7.191) 8.040 17.662 ( 3.225 -3.750 -1.619) 5.204 17.813 ( 0.320 -4.800 3.263) 5.813 17.832 ( 0.524 -5.371 1.308) 5.553 25.185 ( 0.328 0.623 1.906) 2.032 25.225 ( 0.414 -0.198 -1.890) 1.944 25.337 ( -0.336 2.283 1.298) 2.648 25.363 ( -0.538 1.512 -1.251) 2.035 26.387 ( 2.813 1.492 1.384) 3.471 26.422 ( 2.419 0.629 -1.958) 3.175 26.560 ( -0.820 2.852 -0.010) 2.968 26.571 ( -1.128 2.890 -1.087) 3.287 26.783 ( 1.969 4.658 3.316) 6.048 26.846 ( 1.168 3.929 -2.712) 4.915 27.075 ( -1.099 2.645 3.943) 4.874 27.130 ( 0.039 1.688 -1.120) 2.026 28.042 ( -0.062 -1.250 5.867) 5.999 28.193 ( 1.031 -4.904 -8.493) 9.861 28.424 ( -2.445 -0.598 7.470) 7.883 28.577 ( -2.548 -4.402 -7.306) 8.903 ======================= Grid point 152 (57/60) ======================= q-point: ( 0.40 0.33 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.102 ( -2.541 -0.656 4.246) 4.992 2.144 ( 2.244 4.199 -0.409) 4.779 2.266 ( -5.784 7.527 -3.847) 10.243 2.296 ( -10.149 6.067 -5.744) 13.145 2.731 ( 4.588 -4.433 5.856) 8.660 2.850 ( 0.702 0.283 2.675) 2.780 2.896 ( -0.555 -5.917 -1.016) 6.030 3.062 ( -3.424 2.544 -9.398) 10.321 3.316 ( 8.976 16.688 5.655) 19.774 3.406 ( 6.767 10.426 2.127) 12.610 3.510 ( -1.343 11.354 1.912) 11.592 3.652 ( -8.900 10.795 -4.410) 14.669 3.986 ( -1.474 1.332 3.100) 3.682 4.072 ( 2.439 1.731 -4.352) 5.281 4.215 ( -0.238 1.086 5.518) 5.629 4.347 ( 0.665 -1.535 -4.209) 4.530 4.824 ( 6.272 -0.948 9.573) 11.483 4.940 ( 7.985 -1.484 0.727) 8.154 5.109 ( -3.222 -6.003 7.611) 10.215 5.202 ( -5.662 -2.757 -0.937) 6.367 5.289 ( 1.671 -12.639 15.148) 19.799 5.408 ( -8.220 -4.172 12.605) 15.616 5.601 ( 8.970 -6.945 9.486) 14.787 5.640 ( 2.047 -15.802 -10.670) 19.176 5.854 ( 1.861 -0.999 -9.993) 10.214 5.943 ( -6.121 -1.997 12.038) 13.652 6.052 ( 6.523 -4.842 -9.512) 12.509 6.134 ( 0.636 8.714 11.673) 14.581 6.300 ( -4.203 -0.095 -3.146) 5.251 6.489 ( -1.178 3.349 14.040) 14.481 6.550 ( 2.557 -0.030 -12.373) 12.634 6.647 ( -2.990 1.055 1.498) 3.507 6.898 ( 1.617 1.945 2.916) 3.860 7.019 ( 1.074 -0.316 -2.693) 2.916 7.072 ( -4.118 1.810 5.903) 7.422 7.104 ( -2.703 -1.776 2.478) 4.074 7.234 ( -0.532 1.621 -8.496) 8.666 7.358 ( -0.337 -0.403 -11.224) 11.236 7.533 ( -0.573 -0.681 14.519) 14.546 7.751 ( 3.471 -1.811 -6.847) 7.887 7.845 ( -1.272 2.901 2.209) 3.862 7.947 ( 1.212 8.126 6.272) 10.336 8.044 ( -1.803 7.695 -8.651) 11.718 8.307 ( -0.521 7.525 -19.571) 20.974 8.842 ( 2.758 -3.301 4.414) 6.163 8.924 ( -2.513 -9.122 3.194) 9.986 8.967 ( 1.232 -1.929 -3.429) 4.123 9.072 ( -7.003 -7.501 -6.859) 12.344 9.984 ( 1.708 -7.545 5.121) 9.277 10.107 ( 3.090 -5.964 -6.043) 9.035 10.267 ( -1.590 -4.569 8.434) 9.723 10.459 ( 0.211 -2.506 -7.962) 8.349 10.821 ( -0.833 0.796 5.431) 5.551 10.940 ( 1.885 2.710 -5.428) 6.353 11.066 ( -2.393 3.576 2.173) 4.820 11.148 ( -0.619 2.118 -4.930) 5.401 11.743 ( 5.190 3.991 6.601) 9.297 11.860 ( 5.015 1.765 -4.585) 7.021 11.996 ( -2.980 1.901 6.309) 7.232 12.118 ( -0.679 -0.294 -5.379) 5.429 12.616 ( 0.783 -6.602 2.688) 7.171 12.693 ( 0.639 -3.928 2.803) 4.868 12.719 ( 0.654 -4.678 -4.357) 6.426 12.797 ( 0.541 -6.424 -4.626) 7.934 13.696 ( 1.450 2.102 5.798) 6.335 13.749 ( 3.095 6.529 1.698) 7.422 13.857 ( -1.812 4.588 -5.433) 7.338 13.919 ( -5.393 6.191 -9.551) 12.594 15.517 ( 0.962 -1.495 0.152) 1.784 15.563 ( 1.673 -3.051 -4.353) 5.573 15.885 ( -5.093 -1.404 6.247) 8.181 16.001 ( -3.348 -2.223 -5.219) 6.587 16.589 ( 2.053 6.086 2.349) 6.839 16.657 ( 4.639 6.144 -3.423) 8.425 16.800 ( -4.284 11.065 2.444) 12.114 16.855 ( -2.430 10.182 -2.616) 10.789 17.607 ( 1.299 -2.574 8.170) 8.664 17.718 ( 2.152 -3.641 -2.497) 4.912 17.816 ( -0.029 -4.146 3.845) 5.655 17.839 ( 0.125 -4.624 1.489) 4.860 25.191 ( 0.214 0.508 1.890) 1.969 25.233 ( 0.323 -0.323 -2.146) 2.194 25.331 ( -0.286 2.217 1.359) 2.616 25.354 ( -0.342 1.782 -0.914) 2.032 26.452 ( 3.822 2.680 0.958) 4.766 26.475 ( 3.096 2.198 -1.164) 3.971 26.526 ( -2.886 2.864 -0.329) 4.079 26.533 ( -2.691 3.257 -0.995) 4.341 26.828 ( 2.131 3.939 2.822) 5.293 26.879 ( 1.813 2.929 -1.980) 3.973 27.047 ( -1.524 1.352 4.674) 5.098 27.124 ( -0.495 1.434 -2.502) 2.926 28.044 ( 0.171 -1.415 7.092) 7.234 28.216 ( 1.106 -4.026 -9.367) 10.256 28.378 ( -1.904 -0.885 7.307) 7.602 28.530 ( -1.814 -4.653 -7.419) 8.943 ======================= Grid point 155 (58/60) ======================= q-point: ( 0.00 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 96 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.141 ( 0.000 -3.701 1.826) 4.127 2.185 ( 0.000 -6.773 -1.574) 6.954 2.574 ( 0.000 -0.159 4.436) 4.439 2.580 ( 0.000 -1.302 5.359) 5.515 2.765 ( 0.000 3.639 4.553) 5.829 2.862 ( 0.000 -2.821 -4.478) 5.293 2.967 ( 0.000 10.118 1.246) 10.194 3.033 ( 0.000 6.100 -4.589) 7.633 3.189 ( 0.000 1.932 4.784) 5.160 3.302 ( 0.000 -4.598 -6.323) 7.818 3.715 ( 0.000 4.706 3.969) 6.156 3.718 ( 0.000 5.518 4.803) 7.315 4.023 ( 0.000 8.933 7.776) 11.843 4.149 ( 0.000 -1.538 -3.830) 4.127 4.469 ( 0.000 -1.808 6.218) 6.476 4.472 ( 0.000 -5.879 4.884) 7.643 4.723 ( 0.000 8.988 0.657) 9.012 4.732 ( 0.000 9.431 -1.072) 9.492 5.014 ( 0.000 -2.200 9.030) 9.294 5.069 ( 0.000 -3.239 1.809) 3.710 5.238 ( 0.000 -2.970 -5.023) 5.835 5.340 ( 0.000 -9.888 -8.938) 13.329 5.430 ( 0.000 -3.285 0.204) 3.292 5.537 ( 0.000 -3.303 3.629) 4.907 5.688 ( 0.000 -3.584 -2.278) 4.246 5.776 ( 0.000 -4.882 1.336) 5.061 6.141 ( 0.000 7.107 1.906) 7.358 6.274 ( 0.000 -5.081 -1.100) 5.199 6.339 ( 0.000 4.088 -1.916) 4.515 6.415 ( 0.000 0.660 4.123) 4.175 6.565 ( 0.000 4.142 4.173) 5.880 6.666 ( 0.000 -0.574 3.705) 3.749 6.921 ( 0.000 -3.588 7.372) 8.198 6.953 ( 0.000 -6.618 2.645) 7.127 7.151 ( 0.000 2.162 -0.718) 2.278 7.206 ( 0.000 -2.002 -0.127) 2.006 7.238 ( 0.000 4.335 -7.521) 8.681 7.314 ( 0.000 -1.696 -9.676) 9.824 7.568 ( 0.000 0.713 2.815) 2.904 7.614 ( 0.000 -2.895 -1.897) 3.462 7.941 ( 0.000 5.528 3.533) 6.560 7.996 ( 0.000 1.059 -1.585) 1.907 8.284 ( 0.000 7.314 1.734) 7.516 8.382 ( 0.000 4.657 -6.054) 7.638 8.773 ( 0.000 -4.061 3.039) 5.072 8.945 ( 0.000 -13.987 -10.636) 17.572 9.093 ( 0.000 4.825 4.474) 6.580 9.093 ( 0.000 5.715 3.952) 6.948 9.796 ( 0.000 -3.565 3.956) 5.326 9.823 ( 0.000 -6.311 3.208) 7.079 10.277 ( 0.000 0.213 -6.219) 6.223 10.333 ( 0.000 -4.897 -9.644) 10.816 10.929 ( 0.000 2.821 4.287) 5.132 10.967 ( 0.000 -0.657 0.807) 1.041 11.202 ( 0.000 1.995 -0.826) 2.159 11.202 ( 0.000 2.133 -0.870) 2.303 11.553 ( 0.000 1.609 2.709) 3.150 11.603 ( 0.000 -2.949 -2.124) 3.635 12.117 ( 0.000 1.178 1.025) 1.561 12.129 ( 0.000 0.093 -0.194) 0.215 12.531 ( 0.000 -2.332 -1.600) 2.828 12.543 ( 0.000 -3.547 -2.926) 4.598 12.691 ( 0.000 -0.095 -0.169) 0.193 12.698 ( 0.000 -0.794 -1.020) 1.292 13.687 ( 0.000 0.830 3.130) 3.238 13.694 ( 0.000 0.177 2.195) 2.202 14.121 ( 0.000 5.809 -3.553) 6.809 14.162 ( 0.000 2.164 -7.229) 7.546 15.361 ( 0.000 -2.360 -2.664) 3.559 15.385 ( 0.000 -4.400 -4.953) 6.625 16.154 ( 0.000 2.128 0.711) 2.244 16.180 ( 0.000 -0.515 -1.873) 1.943 16.620 ( 0.000 5.191 2.575) 5.795 16.652 ( 0.000 2.741 -0.461) 2.780 17.151 ( 0.000 9.146 1.512) 9.270 17.169 ( 0.000 8.255 -0.228) 8.258 17.476 ( 0.000 -2.733 4.187) 5.000 17.518 ( 0.000 -5.845 0.077) 5.846 17.695 ( 0.000 -4.242 2.345) 4.847 17.697 ( 0.000 -4.636 2.273) 5.163 25.197 ( 0.000 0.750 0.584) 0.950 25.212 ( 0.000 -0.664 -0.852) 1.080 25.378 ( 0.000 1.182 0.422) 1.255 25.388 ( 0.000 0.292 -0.501) 0.580 26.377 ( 0.000 0.735 0.395) 0.835 26.390 ( 0.000 -0.502 -0.885) 1.018 26.605 ( 0.000 1.175 -0.281) 1.208 26.611 ( 0.000 0.681 -0.850) 1.090 26.881 ( 0.000 4.938 2.909) 5.731 26.921 ( 0.000 2.099 -0.829) 2.257 27.097 ( 0.000 -1.341 1.767) 2.218 27.097 ( 0.000 -2.406 1.645) 2.914 28.066 ( 0.000 2.110 0.386) 2.145 28.110 ( 0.000 -2.266 -3.854) 4.470 28.462 ( 0.000 1.829 2.487) 3.087 28.520 ( 0.000 -3.494 -3.070) 4.651 ======================= Grid point 156 (59/60) ======================= q-point: ( 0.20 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 2.071 ( -5.649 -4.737 3.282) 8.070 2.143 ( -3.655 -4.905 -3.564) 7.079 2.456 ( -9.646 -3.131 5.260) 11.424 2.545 ( -6.942 -0.792 -2.129) 7.304 2.736 ( -3.046 5.073 1.732) 6.165 2.793 ( -4.969 0.543 -5.173) 7.193 2.962 ( 3.013 4.229 3.686) 6.367 3.060 ( 2.376 2.353 -5.398) 6.350 3.346 ( 12.572 4.719 4.933) 14.306 3.405 ( 10.236 0.917 -1.487) 10.384 3.684 ( -0.533 5.076 8.173) 9.635 3.779 ( 1.864 2.945 0.284) 3.497 4.090 ( 7.512 8.163 5.766) 12.503 4.199 ( 4.064 2.131 -4.763) 6.614 4.414 ( -3.505 4.045 6.542) 8.453 4.474 ( -2.901 2.812 0.789) 4.117 4.675 ( -1.093 0.132 7.008) 7.094 4.757 ( 1.194 7.211 0.110) 7.310 5.010 ( -1.936 -8.584 10.804) 13.934 5.076 ( -3.792 -6.700 2.325) 8.042 5.124 ( -4.187 -6.404 -7.146) 10.469 5.305 ( -4.888 -11.726 -9.702) 15.985 5.461 ( 2.626 0.298 5.554) 6.151 5.543 ( -1.212 -3.970 1.753) 4.506 5.727 ( 6.530 0.795 3.863) 7.629 5.845 ( 4.462 -4.057 -0.954) 6.105 6.103 ( -4.028 6.947 -2.827) 8.514 6.230 ( -3.721 -2.572 -4.118) 6.117 6.352 ( 2.157 1.897 1.367) 3.181 6.464 ( 4.209 -1.472 -4.012) 5.998 6.532 ( -1.325 2.912 9.508) 10.032 6.663 ( -0.476 -0.499 1.591) 1.733 6.942 ( 1.184 -1.115 5.889) 6.109 6.997 ( 3.630 -1.669 8.777) 9.644 7.099 ( -4.766 0.049 -0.406) 4.783 7.175 ( -2.836 -1.633 1.233) 3.498 7.239 ( -0.756 2.345 -5.844) 6.342 7.326 ( 1.206 -2.184 -10.239) 10.539 7.551 ( -1.582 1.008 5.126) 5.459 7.651 ( 3.395 -1.771 -4.580) 5.969 7.928 ( -1.063 3.510 3.389) 4.993 8.018 ( 2.871 2.655 -3.208) 5.058 8.289 ( 0.120 9.599 3.859) 10.347 8.427 ( 4.297 5.281 -6.238) 9.234 8.724 ( -4.177 -4.824 2.622) 6.898 8.898 ( -4.325 -10.330 -9.697) 14.814 8.999 ( -7.082 -0.494 3.647) 7.981 9.074 ( -4.617 3.387 -0.807) 5.783 9.805 ( 2.266 -4.047 5.658) 7.316 9.903 ( 6.389 -3.884 -1.027) 7.547 10.235 ( -2.847 -1.494 -1.265) 3.455 10.368 ( 2.259 -3.018 -10.378) 11.041 10.881 ( -3.623 1.070 6.002) 7.092 10.964 ( -0.075 0.748 -1.538) 1.712 11.172 ( -1.379 1.997 0.270) 2.442 11.201 ( -2.059 0.902 -2.681) 3.499 11.643 ( 9.712 1.358 4.567) 10.818 11.718 ( 9.435 -0.870 -2.301) 9.750 12.093 ( -2.347 1.293 1.988) 3.336 12.129 ( -0.373 0.008 -1.518) 1.563 12.509 ( -1.034 -3.047 1.084) 3.395 12.575 ( 2.179 -2.962 -4.056) 5.474 12.679 ( -0.986 -0.293 -0.640) 1.211 12.701 ( 0.038 -1.614 -1.868) 2.469 13.695 ( 1.506 0.726 3.705) 4.065 13.730 ( 3.283 0.694 0.594) 3.408 14.065 ( -5.561 4.509 -2.788) 7.684 14.120 ( -4.470 2.545 -7.763) 9.313 15.401 ( 4.464 -2.090 -1.947) 5.300 15.431 ( 4.474 -2.871 -4.852) 7.197 16.052 ( -9.781 0.984 2.347) 10.106 16.108 ( -7.156 0.217 -3.278) 7.875 16.649 ( 2.528 3.783 2.223) 5.064 16.689 ( 3.702 3.308 -1.345) 5.143 17.100 ( -4.830 8.105 1.603) 9.570 17.119 ( -4.594 6.805 -0.226) 8.213 17.510 ( 3.068 -2.179 5.142) 6.372 17.569 ( 4.512 -4.051 -0.490) 6.083 17.701 ( 0.809 -4.215 3.265) 5.393 17.717 ( 1.412 -4.153 1.600) 4.669 25.199 ( 0.201 0.648 0.630) 0.926 25.216 ( 0.401 -0.587 -0.988) 1.217 25.374 ( -0.493 1.025 0.621) 1.296 25.385 ( -0.242 0.482 -0.474) 0.718 26.414 ( 3.774 1.009 0.361) 3.923 26.427 ( 3.742 -0.135 -0.902) 3.852 26.603 ( -0.522 1.134 0.084) 1.251 26.614 ( -0.081 1.099 -1.010) 1.494 26.876 ( -0.074 3.878 2.409) 4.566 26.908 ( -0.736 1.374 -0.599) 1.670 27.073 ( -1.517 -1.731 3.661) 4.324 27.118 ( 0.524 -1.342 -0.452) 1.511 28.054 ( -0.759 1.156 2.137) 2.546 28.132 ( 2.081 -1.281 -5.178) 5.725 28.435 ( -2.818 1.470 2.539) 4.068 28.497 ( -2.294 -3.091 -3.381) 5.123 ======================= Grid point 157 (60/60) ======================= q-point: ( 0.40 0.44 0.43) Boundary mean free path (millimeter): 1000.000 Mass variance parameters: 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 3.36e-05 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 0.00e+00 7.40e-04 7.40e-04 7.40e-04 7.40e-04 2.01e-04 2.01e-04 2.01e-04 2.01e-04 Number of triplets: 158 Calculating Gamma of ph-isotope with tetrahedron method Frequency group velocity (x, y, z) |gv| 1.994 ( -2.059 -4.336 3.962) 6.224 2.102 ( -0.367 -5.144 -5.965) 7.885 2.289 ( -6.585 -3.610 3.141) 8.140 2.393 ( -6.400 -0.289 -6.280) 8.971 2.680 ( -2.115 2.772 -0.666) 3.549 2.728 ( -2.070 -0.265 -5.664) 6.036 3.042 ( 3.477 5.658 1.896) 6.906 3.107 ( 2.155 1.958 -4.877) 5.680 3.523 ( 3.022 0.706 10.059) 10.526 3.606 ( 10.483 3.092 2.966) 11.325 3.743 ( 3.841 7.505 2.328) 8.746 3.754 ( 0.124 6.033 0.795) 6.087 4.208 ( 2.600 11.214 4.143) 12.235 4.262 ( 0.611 9.675 -1.616) 9.828 4.301 ( -7.691 10.960 1.710) 13.498 4.375 ( -4.228 4.958 -2.242) 6.891 4.734 ( 8.390 -8.974 8.181) 14.760 4.840 ( 5.442 -4.452 6.401) 9.508 4.927 ( -4.800 -13.093 10.125) 17.233 4.988 ( -4.770 -8.751 -2.377) 10.246 5.109 ( -0.006 -2.717 -2.151) 3.465 5.226 ( -1.085 -15.278 -6.838) 16.774 5.426 ( -7.324 -2.238 10.992) 13.397 5.513 ( -0.462 0.401 4.102) 4.147 5.828 ( 0.851 -1.384 -3.850) 4.179 5.916 ( 5.233 -0.776 7.408) 9.103 6.025 ( -3.614 2.193 -11.421) 12.179 6.222 ( 1.788 0.407 -7.936) 8.145 6.410 ( 4.283 4.708 6.002) 8.749 6.520 ( -0.460 1.331 9.673) 9.775 6.552 ( 3.010 -0.517 -4.287) 5.263 6.662 ( 0.659 0.234 1.350) 1.521 6.945 ( -0.973 2.491 1.720) 3.180 6.990 ( -2.727 -1.745 -0.401) 3.262 7.056 ( 0.171 -1.485 12.354) 12.444 7.105 ( -4.286 0.526 2.214) 4.852 7.220 ( -0.385 -1.599 -5.516) 5.757 7.357 ( 1.551 -0.097 -10.184) 10.302 7.524 ( -1.034 0.107 11.056) 11.105 7.706 ( 1.862 -1.467 -6.570) 6.984 7.924 ( 0.509 3.129 4.655) 5.632 8.102 ( 5.705 3.669 -7.175) 9.873 8.257 ( -4.036 13.071 8.254) 15.978 8.489 ( 1.303 3.619 -6.248) 7.337 8.694 ( 1.940 -4.028 0.764) 4.536 8.826 ( -3.704 -1.877 -0.110) 4.154 8.881 ( -2.588 -9.278 -7.088) 11.959 8.954 ( -7.100 -1.028 -6.392) 9.609 9.858 ( 2.304 -3.503 5.545) 6.952 10.002 ( 3.348 -3.044 -7.862) 9.071 10.197 ( -1.157 -1.693 7.617) 7.888 10.394 ( 0.534 -2.386 -9.961) 10.257 10.832 ( -1.436 0.238 7.168) 7.314 10.977 ( 1.151 0.794 -6.108) 6.266 11.132 ( -2.337 2.271 2.042) 3.846 11.174 ( -0.454 0.207 -1.460) 1.543 11.825 ( 7.529 3.322 3.506) 8.945 11.873 ( 6.295 -0.637 -0.864) 6.386 12.031 ( -4.157 1.146 4.111) 5.957 12.115 ( -0.901 -0.028 -3.836) 3.940 12.498 ( -0.259 -3.500 3.778) 5.157 12.616 ( 2.177 -2.367 -2.026) 3.801 12.656 ( -1.648 -1.475 -3.687) 4.299 12.699 ( -0.164 -2.550 -2.923) 3.883 13.736 ( 2.285 1.310 3.760) 4.591 13.812 ( 5.454 0.597 -2.459) 6.012 13.945 ( -6.728 2.985 -0.938) 7.420 14.026 ( -4.271 2.849 -8.016) 9.519 15.506 ( 5.175 0.112 -2.189) 5.620 15.522 ( 4.598 -1.113 -3.675) 5.991 15.862 ( -8.646 -0.581 4.985) 9.998 15.975 ( -5.478 -0.507 -5.993) 8.136 16.693 ( 1.769 3.051 2.851) 4.536 16.761 ( 3.172 2.995 -3.285) 5.461 17.011 ( -3.732 7.160 2.192) 8.366 17.041 ( -2.866 5.808 -0.611) 6.505 17.559 ( 1.685 -1.419 6.453) 6.819 17.642 ( 2.562 -2.706 -1.333) 3.958 17.714 ( 0.455 -3.910 3.786) 5.461 17.735 ( 0.413 -3.891 1.606) 4.230 25.202 ( 0.116 0.485 0.738) 0.891 25.224 ( 0.297 -0.478 -1.313) 1.429 25.364 ( -0.376 0.861 1.099) 1.446 25.381 ( -0.133 0.711 -0.528) 0.895 26.497 ( 4.655 1.358 0.326) 4.860 26.510 ( 4.757 0.879 -0.926) 4.926 26.573 ( -2.961 1.309 0.407) 3.264 26.588 ( -3.000 1.597 -1.076) 3.565 26.891 ( 1.377 2.013 1.911) 3.098 26.914 ( 1.046 0.413 -0.256) 1.153 27.037 ( -1.960 -1.156 4.690) 5.213 27.111 ( -0.857 -1.304 -2.100) 2.616 28.047 ( -0.056 0.698 4.555) 4.608 28.174 ( 1.900 -0.634 -7.344) 7.612 28.378 ( -2.508 0.603 3.350) 4.228 28.455 ( -1.570 -2.261 -4.098) 4.936 =================== End of collection of collisions =================== ----------- Thermal conductivity (W/m-k) with tetrahedron method ----------- # T(K) xx yy zz yz xz xy #ipm 0.0 0.000 0.000 0.000 0.000 0.000 0.000 3/30240 10.0 512.534 222.156 634.402 0.000 0.000 0.000 3/30240 20.0 67.865 40.505 98.504 0.000 0.000 0.000 3/30240 30.0 24.102 16.452 38.192 0.000 0.000 0.000 3/30240 40.0 13.205 9.795 22.260 0.000 0.000 0.000 3/30240 50.0 8.817 6.890 15.382 0.000 0.000 0.000 3/30240 60.0 6.560 5.319 11.688 0.000 0.000 0.000 3/30240 70.0 5.215 4.350 9.425 0.000 0.000 0.000 3/30240 80.0 4.330 3.693 7.908 0.000 0.000 0.000 3/30240 90.0 3.705 3.219 6.822 0.000 0.000 0.000 3/30240 100.0 3.242 2.859 6.004 0.000 0.000 0.000 3/30240 110.0 2.884 2.575 5.367 0.000 0.000 0.000 3/30240 120.0 2.600 2.346 4.855 0.000 0.000 0.000 3/30240 130.0 2.368 2.156 4.435 0.000 0.000 0.000 3/30240 140.0 2.176 1.997 4.084 0.000 0.000 0.000 3/30240 150.0 2.013 1.861 3.786 0.000 0.000 0.000 3/30240 160.0 1.874 1.743 3.530 0.000 0.000 0.000 3/30240 170.0 1.754 1.640 3.307 0.000 0.000 0.000 3/30240 180.0 1.649 1.550 3.112 0.000 0.000 0.000 3/30240 190.0 1.556 1.469 2.940 0.000 0.000 0.000 3/30240 200.0 1.473 1.397 2.786 0.000 0.000 0.000 3/30240 210.0 1.399 1.332 2.649 0.000 0.000 0.000 3/30240 220.0 1.332 1.273 2.525 0.000 0.000 0.000 3/30240 230.0 1.272 1.220 2.412 0.000 0.000 0.000 3/30240 240.0 1.217 1.171 2.310 0.000 0.000 0.000 3/30240 250.0 1.167 1.126 2.216 0.000 0.000 0.000 3/30240 260.0 1.120 1.085 2.130 0.000 0.000 0.000 3/30240 270.0 1.078 1.046 2.050 0.000 0.000 0.000 3/30240 280.0 1.038 1.011 1.977 0.000 0.000 0.000 3/30240 290.0 1.002 0.978 1.909 0.000 0.000 0.000 3/30240 300.0 0.968 0.947 1.845 0.000 0.000 0.000 3/30240 310.0 0.936 0.918 1.786 0.000 0.000 0.000 3/30240 320.0 0.906 0.891 1.731 0.000 0.000 0.000 3/30240 330.0 0.879 0.865 1.679 0.000 0.000 0.000 3/30240 340.0 0.853 0.841 1.630 0.000 0.000 0.000 3/30240 350.0 0.828 0.818 1.584 0.000 0.000 0.000 3/30240 360.0 0.805 0.797 1.541 0.000 0.000 0.000 3/30240 370.0 0.783 0.777 1.500 0.000 0.000 0.000 3/30240 380.0 0.762 0.757 1.461 0.000 0.000 0.000 3/30240 390.0 0.742 0.739 1.424 0.000 0.000 0.000 3/30240 400.0 0.724 0.721 1.389 0.000 0.000 0.000 3/30240 410.0 0.706 0.705 1.356 0.000 0.000 0.000 3/30240 420.0 0.689 0.689 1.324 0.000 0.000 0.000 3/30240 430.0 0.673 0.674 1.294 0.000 0.000 0.000 3/30240 440.0 0.658 0.659 1.265 0.000 0.000 0.000 3/30240 450.0 0.643 0.646 1.238 0.000 0.000 0.000 3/30240 460.0 0.629 0.632 1.212 0.000 0.000 0.000 3/30240 470.0 0.616 0.620 1.186 0.000 0.000 0.000 3/30240 480.0 0.603 0.607 1.162 0.000 0.000 0.000 3/30240 490.0 0.591 0.596 1.139 0.000 0.000 0.000 3/30240 500.0 0.579 0.584 1.117 0.000 0.000 0.000 3/30240 510.0 0.568 0.573 1.095 0.000 0.000 0.000 3/30240 520.0 0.557 0.563 1.075 0.000 0.000 0.000 3/30240 530.0 0.546 0.553 1.055 0.000 0.000 0.000 3/30240 540.0 0.536 0.543 1.036 0.000 0.000 0.000 3/30240 550.0 0.526 0.534 1.017 0.000 0.000 0.000 3/30240 560.0 0.517 0.525 1.000 0.000 0.000 0.000 3/30240 570.0 0.508 0.516 0.982 0.000 0.000 0.000 3/30240 580.0 0.499 0.507 0.966 0.000 0.000 0.000 3/30240 590.0 0.491 0.499 0.950 0.000 0.000 0.000 3/30240 600.0 0.483 0.491 0.934 0.000 0.000 0.000 3/30240 610.0 0.475 0.483 0.919 0.000 0.000 0.000 3/30240 620.0 0.467 0.476 0.905 0.000 0.000 0.000 3/30240 630.0 0.460 0.469 0.891 0.000 0.000 0.000 3/30240 640.0 0.452 0.462 0.877 0.000 0.000 0.000 3/30240 650.0 0.446 0.455 0.864 0.000 0.000 0.000 3/30240 660.0 0.439 0.448 0.851 0.000 0.000 0.000 3/30240 670.0 0.432 0.442 0.839 0.000 0.000 0.000 3/30240 680.0 0.426 0.436 0.826 0.000 0.000 0.000 3/30240 690.0 0.420 0.430 0.815 0.000 0.000 0.000 3/30240 700.0 0.414 0.424 0.803 0.000 0.000 0.000 3/30240 710.0 0.408 0.418 0.792 0.000 0.000 0.000 3/30240 720.0 0.402 0.412 0.781 0.000 0.000 0.000 3/30240 730.0 0.397 0.407 0.771 0.000 0.000 0.000 3/30240 740.0 0.392 0.402 0.761 0.000 0.000 0.000 3/30240 750.0 0.386 0.396 0.751 0.000 0.000 0.000 3/30240 760.0 0.381 0.391 0.741 0.000 0.000 0.000 3/30240 770.0 0.376 0.386 0.731 0.000 0.000 0.000 3/30240 780.0 0.371 0.382 0.722 0.000 0.000 0.000 3/30240 790.0 0.367 0.377 0.713 0.000 0.000 0.000 3/30240 800.0 0.362 0.372 0.704 0.000 0.000 0.000 3/30240 810.0 0.358 0.368 0.696 0.000 0.000 0.000 3/30240 820.0 0.353 0.364 0.688 0.000 0.000 0.000 3/30240 830.0 0.349 0.359 0.679 0.000 0.000 0.000 3/30240 840.0 0.345 0.355 0.671 0.000 0.000 0.000 3/30240 850.0 0.341 0.351 0.664 0.000 0.000 0.000 3/30240 860.0 0.337 0.347 0.656 0.000 0.000 0.000 3/30240 870.0 0.333 0.343 0.649 0.000 0.000 0.000 3/30240 880.0 0.329 0.339 0.641 0.000 0.000 0.000 3/30240 890.0 0.326 0.336 0.634 0.000 0.000 0.000 3/30240 900.0 0.322 0.332 0.627 0.000 0.000 0.000 3/30240 910.0 0.319 0.329 0.621 0.000 0.000 0.000 3/30240 920.0 0.315 0.325 0.614 0.000 0.000 0.000 3/30240 930.0 0.312 0.322 0.607 0.000 0.000 0.000 3/30240 940.0 0.308 0.318 0.601 0.000 0.000 0.000 3/30240 950.0 0.305 0.315 0.595 0.000 0.000 0.000 3/30240 960.0 0.302 0.312 0.589 0.000 0.000 0.000 3/30240 970.0 0.299 0.309 0.583 0.000 0.000 0.000 3/30240 980.0 0.296 0.306 0.577 0.000 0.000 0.000 3/30240 990.0 0.293 0.303 0.571 0.000 0.000 0.000 3/30240 1000.0 0.290 0.300 0.565 0.000 0.000 0.000 3/30240 Thermal conductivity related properties were written into "kappa-m597.hdf5". Summary of calculation was written in "phono3py.yaml". -------------------------[time 2026-01-07 21:50:59]------------------------- _ ___ _ __ __| | / _ \ '_ \ / _` | | __/ | | | (_| | \___|_| |_|\__,_|